Geometry & MOs

Info

ID:	245614
PubChem CID:	99455607
Reduced:	ClN3O3C22H34 (1)
Stoich.:	AB3C3D22E34 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-155.55
Dipole, Da:	2.79
IP(EA), eV:	-8.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H](CC(C)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations