Geometry & MOs

Info

ID:	86498
PubChem CID:	49886258
Reduced:	NSF2O4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	279.037685
ΔH_f, kcal/mol:	-240.13
Dipole, Da:	3.58
IP(EA), eV:	-9.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethylsulfonyl-3,5-difluoroanilino)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations