Geometry & MOs

Info

ID:	37105
PubChem CID:	8016946
Reduced:	ClSN2O2H17C19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	385.144958
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,6-dichlorophenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)COC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations