Geometry & MOs

Info

ID:	401475
PubChem CID:	135051372
Reduced:	OS4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	363.954256
ΔH_f, kcal/mol:	-59.7
Dipole, Da:	4.38
IP(EA), eV:	-7.59(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-(5-phenyldithiol-3-ylidene)-5,6-dihydro-4H-1,2-benzodithiole-3-thione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=S(O1)SC\3=C2CCC/C3=C/4\C=C(SS4)C(C)(C)C

DOS

IR

Vibrations