Geometry & MOs

Info

ID:	401511
PubChem CID:	135051496
Reduced:	ClNS2O4C7H10 (1)
Stoich.:	ABC2D4E7F10 (1)
Weight, g/mol:	313.938606
ΔH_f, kcal/mol:	27.56
Dipole, Da:	14.4
IP(EA), eV:	-9.43(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(7Z)-7-(dithiol-3-ylidene)-5,6-dihydro-4H-1,2-benzodithiol-3-ylidene]ethanethial

Drug info:

PubChemData

Smile

CN(C)/C=C\C1=S(SC=C1)OCl(=O)(=O)=O

DOS

IR

Vibrations