Geometry & MOs

Info

ID:

176777

PubChem CID:

76097236

Reduced:

SN4O6C35H40 (1)

Stoich.:

AB4C6D35E40 (1)

Weight, g/mol:

584.171435

ΔHf, kcal/mol:

-183.54

Dipole, Da:

7.71

IP(EA), eV:

 -8.96(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(6-aminopurin-9-yl)-3,4-bis(carboxymethyl)-3,4-dihydroxyoxolan-2-yl]-3-(4,4-dimethoxy-5-oxopyrrolidin-2-yl)oxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=CS2)C(=C3CCNC3)C4CCNC(=O)C4)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations