Geometry & MOs

Info

ID:	135725
PubChem CID:	51921389
Reduced:	N2F3O5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	420.125213
ΔH_f, kcal/mol:	-348.15
Dipole, Da:	5.53
IP(EA), eV:	-9.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2R)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@H](C(C)C)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations