Geometry & MOs

Info

ID:	86529
PubChem CID:	49886656
Reduced:	NSF2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	325.059564
ΔH_f, kcal/mol:	-259.08
Dipole, Da:	4.24
IP(EA), eV:	-9.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(N-ethylsulfonyl-2,4,5-trifluoroanilino)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations