Geometry & MOs

Info

ID:	37191
PubChem CID:	8018158
Reduced:	Cl2O3N5C17H17 (1)
Stoich.:	A2B3C5D17E17 (1)
Weight, g/mol:	409.070845
ΔH_f, kcal/mol:	-84.62
Dipole, Da:	3.2
IP(EA), eV:	-9.43(-1.1)
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-[(1R)-1-(2-chlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

DOS

IR

Vibrations