Geometry & MOs

Info

ID:	174765
PubChem CID:	75812199
Reduced:	SN3O3C21H34 (1)
Stoich.:	AB3C3D21E34 (1)
Weight, g/mol:	407.224263
ΔH_f, kcal/mol:	-113.5
Dipole, Da:	5.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755025
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations