Geometry & MOs

Info

ID:	245592
PubChem CID:	99455497
Reduced:	ClN2S2O3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	6.03
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)S(=O)(=O)NCCC(=O)NCCC2=CSC=C2)Cl

DOS

IR

Vibrations