Geometry & MOs

Info

ID:	383633
PubChem CID:	134975452
Reduced:	OS2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	315.930065
ΔH_f, kcal/mol:	2.43
Dipole, Da:	3.21
IP(EA), eV:	-8.42(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(3-perchloryloxy-2,3lambda4-dithiabicyclo[3.3.0]octa-1(5),3-dien-4-yl) ethanethioate

Drug info:

PubChemData

Smile

CC1=CSS2=C1C(=CO2)C3=CC=CC=C3

DOS

IR

Vibrations