Geometry & MOs

Info

ID:	401476
PubChem CID:	135051373
Reduced:	S5H12C16 (1)
Stoich.:	A5B12C16 (1)
Weight, g/mol:	301.99907
ΔH_f, kcal/mol:	79.88
Dipole, Da:	6.52
IP(EA), eV:	-8.2(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidene-5-(4-chlorophenyl)dithiole

Drug info:

PubChemData

Smile

C1C/C(=C/2\C=C(SS2)C3=CC=CC=C3)/C4=C(C1)C(=S)SS4

DOS

IR

Vibrations