Geometry & MOs

Info

ID:	79421
PubChem CID:	49748525
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	452.096141
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	0.38
IP(EA), eV:	-8.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(2-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N(CCC3)C(=O)C(C)C

DOS

IR

Vibrations