Geometry & MOs

Info

ID:	401484
PubChem CID:	135051396
Reduced:	OS2C6H6 (1)
Stoich.:	AB2C6D6 (1)
Weight, g/mol:	300.027872
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	3.22
IP(EA), eV:	-8.5(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-4-phenyldithiol-3-one

Drug info:

PubChemData

Smile

CC1=COS2=C1C=CS2

DOS

IR

Vibrations