Geometry & MOs

Info

ID:	48565
PubChem CID:	11108321
Reduced:	NSO5H9C11 (1)
Stoich.:	ABC5D9E11 (1)
Weight, g/mol:	274.066365
ΔH_f, kcal/mol:	-164.63
Dipole, Da:	5.24
IP(EA), eV:	-9.59(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydroxyphenyl)-methylsulfanylmethyl]benzoic acid

Drug info:

PubChemData

Smile

C1[C@@H](OS(=O)O1)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations