Geometry & MOs

Info

ID:	63708
PubChem CID:	26759020
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	381.077928
ΔH_f, kcal/mol:	-176.01
Dipole, Da:	8.45
IP(EA), eV:	-8.65(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations