Geometry & MOs

Info

ID:	284734
PubChem CID:	104065995
Reduced:	ClNSO3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	270.072594
ΔH_f, kcal/mol:	-121.93
Dipole, Da:	8.34
IP(EA), eV:	-9.24(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-(2-hydroxycyclohexyl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1CC(CC(=O)NC1)SC2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations