Geometry & MOs

Info

ID:	63827
PubChem CID:	26759269
Reduced:	NF3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	381.118793
ΔH_f, kcal/mol:	-291.11
Dipole, Da:	6.16
IP(EA), eV:	-8.35(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-methoxyanilino)-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