Geometry & MOs

Info

ID:	386790
PubChem CID:	134982946
Reduced:	ClSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-16.14
Dipole, Da:	5.27
IP(EA), eV:	-9.09(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10,12-dimethyltricyclo[6.4.1.04,13]trideca-1,4(13),5,7,9,11-hexaene-6-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C2C1=CC=C2)Cl

DOS

IR

Vibrations