Geometry & MOs

Info

ID:	63725
PubChem CID:	26759051
Reduced:	ClNF3O5H17C19 (1)
Stoich.:	ABC3D5E17F19 (1)
Weight, g/mol:	361.132551
ΔH_f, kcal/mol:	-326.44
Dipole, Da:	5.79
IP(EA), eV:	-8.95(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations