Geometry & MOs

Info

ID:	224799
PubChem CID:	85355370
Reduced:	ZnO2N4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	463.120192
ΔH_f, kcal/mol:	100.25
Dipole, Da:	8.66
IP(EA), eV:	-8.17(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C2O)N(N1C)C3=CC=CC=C3)NC=C4C=CC=CC4=O.[Zn]

DOS

IR

Vibrations