Geometry & MOs

Info

ID:	86499
PubChem CID:	49886266
Reduced:	NSF2O4C10H11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	393.046948
ΔH_f, kcal/mol:	-245.02
Dipole, Da:	8.55
IP(EA), eV:	-9.67(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[N-ethylsulfonyl-3,5-bis(trifluoromethyl)anilino]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations