Geometry & MOs

Info

ID:	406160
PubChem CID:	135076730
Reduced:	CrOSC6H6 (1)
Stoich.:	ABCD6E6 (1)
Weight, g/mol:	327.922782
ΔH_f, kcal/mol:	151.57
Dipole, Da:	3.14
IP(EA), eV:	-7.08(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(1Z)-1,2,4,4-tetrachlorobuta-1,3-dienyl]sulfanylbenzene

Drug info:

PubChemData

Smile

COC(=[Cr])C1=CSC=C1

DOS

IR

Vibrations