Geometry & MOs

Info

ID:	284737
PubChem CID:	104066312
Reduced:	SF2O2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	274.066365
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	3.52
IP(EA), eV:	-9.02(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-hydroxyphenyl)methylsulfanyl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC2=CC(=C(C=C2)F)C(=O)O)F

DOS

IR

Vibrations