Geometry & MOs

Info

ID:	63839
PubChem CID:	26759288
Reduced:	ClN2F3O3H14C17 (1)
Stoich.:	AB2C3D3E14F17 (1)
Weight, g/mol:	387.089384
ΔH_f, kcal/mol:	-246.86
Dipole, Da:	5.65
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations