Geometry & MOs

Info

ID:	165281
PubChem CID:	74526100
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	4.01
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-dioxo-4,5-dihydropurin-8-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C3C(N=C(N3C)SCC4=CC=CC=C4)N(C2=O)C

DOS

IR

Vibrations