Geometry & MOs

Info

ID:	374062
PubChem CID:	131323175
Reduced:	NSO2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	325.92738
ΔH_f, kcal/mol:	-47.26
Dipole, Da:	1.85
IP(EA), eV:	-8.58(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-6-iodo-3-methylsulfanylphenyl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)N)O

DOS

IR

Vibrations