Geometry & MOs

Info

ID:	179993
PubChem CID:	76563685
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	336.013485
ΔH_f, kcal/mol:	24.98
Dipole, Da:	8.56
IP(EA), eV:	-8.25(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis[(2-methylphenyl)sulfanyl]ethene-1,2-dithiol

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(S1)C=CC2=CC=C(C=C2)C=C(C#N)C(=O)O

DOS

IR

Vibrations