Geometry & MOs

Info

ID:	398374
PubChem CID:	135033014
Reduced:	NC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	332.046693
ΔH_f, kcal/mol:	16.29
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.909295
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-nitrophenyl)sulfonyl-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC[N+](=C2CCC=C2)C1

DOS

IR

Vibrations