Geometry & MOs

Info

ID:	37178
PubChem CID:	8017924
Reduced:	ClO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	409.070845
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	4.36
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)C)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations