Geometry & MOs

Info

ID:	401451
PubChem CID:	135051308
Reduced:	ClS2O4C7H9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	386.002442
ΔH_f, kcal/mol:	16.93
Dipole, Da:	14.39
IP(EA), eV:	-10.27(-2.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-8-(4-methylphenyl)-1lambda4,2,9-trithiatricyclo[5.2.1.04,10]deca-1(10),3,7-triene

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=S(S2)OCl(=O)(=O)=O

DOS

IR

Vibrations