Geometry & MOs

Info

ID:	139838
PubChem CID:	52606580
Reduced:	ClF2N2O2C21H23 (1)
Stoich.:	AB2C2D2E21F23 (1)
Weight, g/mol:	447.172498
ΔH_f, kcal/mol:	-147.42
Dipole, Da:	1.33
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]amino]-2-oxoethyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)[C@@H](CNC(=O)C2=CC(=C(C=C2)C)F)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations