Geometry & MOs

Info

ID:	63828
PubChem CID:	26759270
Reduced:	NF3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	369.098806
ΔH_f, kcal/mol:	-291.87
Dipole, Da:	4.35
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations