Geometry & MOs

Info

ID:	128768
PubChem CID:	51057403
Reduced:	OSN2H18C21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	402.017412
ΔH_f, kcal/mol:	46.67
Dipole, Da:	8.94
IP(EA), eV:	-8.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-(4-chlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CS3)C4=CC=CC=C4)C#N

DOS

IR

Vibrations