Geometry & MOs

Info

ID:	195059
PubChem CID:	78628439
Reduced:	FSN2O6C18H19 (1)
Stoich.:	ABC2D6E18F19 (1)
Weight, g/mol:	399.109371
ΔH_f, kcal/mol:	-246.95
Dipole, Da:	9.67
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations