Geometry & MOs

Info

ID:	322288
PubChem CID:	126669611
Reduced:	O7N8C31H46 (1)
Stoich.:	A7B8C31D46 (1)
Weight, g/mol:	788.362403
ΔH_f, kcal/mol:	-250.97
Dipole, Da:	3.67
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-[2-[2-(4-chlorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)C(CN(CC[C@@H](C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)CCN)OC)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)C(CN(CC[C@@H](C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)CCN)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):