Geometry & MOs

Info

ID:	318822
PubChem CID:	126653495
Reduced:	ClO3N8C23H33 (1)
Stoich.:	AB3C8D23E33 (1)
Weight, g/mol:	596.343467
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	3.62
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-4-[[(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-aminoethyl)amino]-1-phenylbutan-2-yl]carbamate

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

C1=CC(=CC=C1CCNCCN(CCCN)C[C@@H]2[C@H](C([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)Cl

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

C1=CC(=CC=C1CCNCCN(CCCN)C[C@@H]2[C@H](C([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):