Geometry & MOs

Info

ID:	63840
PubChem CID:	26759291
Reduced:	NO3F5H14C18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	387.089384
ΔH_f, kcal/mol:	-344.12
Dipole, Da:	3.85
IP(EA), eV:	-9.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations