Geometry & MOs

Info

ID:	322287
PubChem CID:	126669605
Reduced:	ClO2N3C29H32 (1)
Stoich.:	AB2C3D29E32 (1)
Weight, g/mol:	642.348946
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	5.01
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-4-[2-aminoethyl-[2-[(4R,5R)-5-(6-aminopurin-9-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxyethyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

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=CC(=CN=C1C(=O)N2CCC[C@@H](C2C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(C)(C)C)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

CC1=CC(=CN=C1C(=O)N2CCC[C@@H](C2C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(C)(C)C)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):