Geometry & MOs

Info

ID:	28278
PubChem CID:	826738
Reduced:	OSCl2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	274.02998
ΔH_f, kcal/mol:	-9.67
Dipole, Da:	4.46
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carboxyphenyl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC3=C(C[C@H]2Cl)C=C(C=C3)Cl

DOS

IR

Vibrations