Geometry & MOs

Info

ID:	317263
PubChem CID:	126635270
Reduced:	ClON2S2C9H13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	536.278741
ΔH_f, kcal/mol:	-16.41
Dipole, Da:	3.97
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methyl-5-oxo-5-pyrrolidin-1-ylpentyl)amino]-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-4-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)Cl)N(C)C(=O)CCSC

DOS

IR

Vibrations