Geometry & MOs

Info

ID:	27340
PubChem CID:	820774
Reduced:	ClSN2O2H9C12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	33.32
Dipole, Da:	5.4
IP(EA), eV:	-8.64(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(2,6-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])SNC2=CC(=CC=C2)Cl

DOS

IR

Vibrations