Geometry & MOs

Info

ID:	383620
PubChem CID:	134975432
Reduced:	ClSO6C7H9 (1)
Stoich.:	ABC6D7E9 (1)
Weight, g/mol:	279.963079
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	8.06
IP(EA), eV:	-9.38(-3.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethyl-1,3-benzodithiol-2-yl) perchlorate

Drug info:

PubChemData

Smile

CC1=CC(SO1)(CC(=O)C)OCl(=O)(=O)=O

DOS

IR

Vibrations