Geometry & MOs

Info

ID:	63844
PubChem CID:	26759302
Reduced:	NO3F4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	383.114456
ΔH_f, kcal/mol:	-308.93
Dipole, Da:	4.09
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H](C)OC(=O)CC2=CC(=CC=C2)C(F)(F)F)F

DOS

IR

Vibrations