Geometry & MOs

Info

ID:	177911
PubChem CID:	76250476
Reduced:	SO2N3C30H31 (1)
Stoich.:	AB2C3D30E31 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	1.63
IP(EA), eV:	-7.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxo-4,5-dihydropurin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)C=CC5=CC=CC=C5

DOS

IR

Vibrations