Geometry & MOs

Info

ID:	245603
PubChem CID:	99455553
Reduced:	SN3O4C20H33 (1)
Stoich.:	AB3C4D20E33 (1)
Weight, g/mol:	354.17102
ΔH_f, kcal/mol:	-183.09
Dipole, Da:	6.91
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methylphenoxy)-N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations