Geometry & MOs

Info

ID:	57953
PubChem CID:	24398015
Reduced:	ClOSN5H16C21 (1)
Stoich.:	ABCD5E16F21 (1)
Weight, g/mol:	350.022498
ΔH_f, kcal/mol:	121.45
Dipole, Da:	3.7
IP(EA), eV:	-9.0(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-chloro-2-methylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)/C(=C/C2=CC=CS2)/N3C(=NN=N3)C4=CC=CC=C4

DOS

IR

Vibrations