Geometry & MOs

Info

ID:	62032
PubChem CID:	26717127
Reduced:	Cl2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	-115.42
Dipole, Da:	5.46
IP(EA), eV:	-9.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1-naphthalen-2-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)CNC(=O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=CC=C2

DOS

IR

Vibrations