Geometry & MOs

Info

ID:	171989
PubChem CID:	75450360
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	414.1647
ΔH_f, kcal/mol:	11.28
Dipole, Da:	2.15
IP(EA), eV:	-8.91(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-hydroxyethyl)cyclohexyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCOC1)C2=NC(=NC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations