Geometry & MOs

Info

ID:	406037
PubChem CID:	135076328
Reduced:	ClN3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	432.114378
ΔH_f, kcal/mol:	102.18
Dipole, Da:	1.81
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-cyanophenyl)-3-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=C(C=C(C=C2)Cl)N=[N+]=[N-]

DOS

IR

Vibrations