Geometry & MOs

Info

ID:	401532
PubChem CID:	135051534
Reduced:	ClS2O4C11H17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	331.994379
ΔH_f, kcal/mol:	-11.1
Dipole, Da:	13.91
IP(EA), eV:	-10.03(-3.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-phenyl-7lambda4,8-dithiabicyclo[4.3.0]nona-1(9),6-dien-7-yl) perchlorate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2CCCCC2=S(S1)OCl(=O)(=O)=O

DOS

IR

Vibrations