Geometry & MOs

Info

ID:	78980
PubChem CID:	49742961
Reduced:	SO2N3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	352.097855
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	6.86
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-(4-ethyl-2-oxo-1H-quinolin-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=CSC(=N3)C

DOS

IR

Vibrations