Geometry & MOs

Info

ID:	338736
PubChem CID:	127259747
Reduced:	N3O3C8H9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	-25.52
Dipole, Da:	2.95
IP(EA), eV:	-10.01(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(2-phenylacetyl)-3-sulfanylbut-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations