Geometry & MOs

Info

ID:	37186
PubChem CID:	8018054
Reduced:	ClFNO3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	395.055195
ΔH_f, kcal/mol:	-165.77
Dipole, Da:	4.74
IP(EA), eV:	-9.87(-0.8)
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-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CNC(=O)COC(=O)CC1=C(C=CC=C1Cl)F

DOS

IR

Vibrations