Geometry & MOs

Info

ID:	21967
PubChem CID:	594454
Reduced:	ClNO2S2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	334.984149
ΔH_f, kcal/mol:	14.62
Dipole, Da:	6.28
IP(EA), eV:	-9.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfonyl-3-phenylsulfanylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations