Geometry & MOs

Info

ID:	401521
PubChem CID:	135051508
Reduced:	OS2C7H8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	248.032957
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	3.85
IP(EA), eV:	-8.27(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-7-phenyl-2-oxa-1lambda4,8-dithiabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

CC1=COS2=C1C(=CS2)C

DOS

IR

Vibrations