Geometry & MOs

Info

ID:	86500
PubChem CID:	49886274
Reduced:	NSO4F6C13H13 (1)
Stoich.:	ABC4D6E13F13 (1)
Weight, g/mol:	310.978584
ΔH_f, kcal/mol:	-470.03
Dipole, Da:	5.57
IP(EA), eV:	-9.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichloro-N-ethylsulfonylanilino)acetic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)OC)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations