Geometry & MOs

Info

ID:	61491
PubChem CID:	26709914
Reduced:	SN2O4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	494.264154
ΔH_f, kcal/mol:	-96.58
Dipole, Da:	8.45
IP(EA), eV:	-8.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations