Geometry & MOs

Info

ID:	135455
PubChem CID:	51873722
Reduced:	ClN4O4C21H21 (1)
Stoich.:	AB4C4D21E21 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	4.55
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3S)-1-[(2R)-2-ethylmorpholin-4-yl]-3-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC(=C(C(=C2)Cl)OC)OC)N3C=CC=N3

DOS

IR

Vibrations