Geometry & MOs

Info

ID:	14219
PubChem CID:	406764
Reduced:	ClSN2H13C19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	336.048797
ΔH_f, kcal/mol:	123.15
Dipole, Da:	7.38
IP(EA), eV:	-9.2(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)prop-2-enylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations