Geometry & MOs

Info

ID:	164906
PubChem CID:	74469307
Reduced:	NSO6C26H30 (1)
Stoich.:	ABC6D26E30 (1)
Weight, g/mol:	408.232088
ΔH_f, kcal/mol:	-185.27
Dipole, Da:	5.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754854
Charge, e:	1

Chem-info

IUPAC name:

2-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)[O-]

DOS

IR

Vibrations