Geometry & MOs

Info

ID:	22681
PubChem CID:	598348
Reduced:	SCl3O3H13C19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	425.965099
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	5.73
IP(EA), eV:	-9.5(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[5-(2,4-dichlorophenyl)-3-oxocyclohexen-1-yl]sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1C(CC(=O)C=C1SC2=C(C=C(C=C2)Cl)C(=O)O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations