Geometry & MOs

Info

ID:	78910
PubChem CID:	49742693
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	371.163377
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	8.13
IP(EA), eV:	-8.85(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-4-propan-2-yl-1H-quinolin-7-yl)-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3=CC4=C(C=C3)C(=CC(=O)N4)C(C)C

DOS

IR

Vibrations