Geometry & MOs

Info

ID:	302647
PubChem CID:	124391307
Reduced:	ClSN2O4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	284.035255
ΔH_f, kcal/mol:	-147.7
Dipole, Da:	6.28
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-2-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C)NS(=O)(=O)C2=CC(=C(C=C2)OC)C)Cl

DOS

IR

Vibrations