Geometry & MOs

Info

ID:	386769
PubChem CID:	134982865
Reduced:	NSO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	2.11
IP(EA), eV:	-9.04(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4E)-4-benzylidene-2-cyano-3-methyl-N'-phenylpent-2-enediamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C=C(/CSCCO)\C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations