Geometry & MOs

Info

ID:	284739
PubChem CID:	104066674
Reduced:	SO3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	264.996427
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-pyridin-4-ylsulfanylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCC(C2=CC=CC=C2)O)C(=O)O

DOS

IR

Vibrations