Geometry & MOs

Info

ID:	139700
PubChem CID:	52581801
Reduced:	Cl2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	-97.56
Dipole, Da:	4.64
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenyl-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1)C(=O)[C@@H]2CCCN2C(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations