Geometry & MOs

Info

ID:	338822
PubChem CID:	127259833
Reduced:	SH6C7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	255.017642
ΔH_f, kcal/mol:	70.64
Dipole, Da:	1.49
IP(EA), eV:	-8.72(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) benzenecarbodithioate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SC(=S)C2=CC=CC=C2

DOS

IR

Vibrations