Geometry & MOs

Info

ID:	369627
PubChem CID:	127334957
Reduced:	SN2O3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-136.91
Dipole, Da:	3.05
IP(EA), eV:	-9.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycycloheptyl)methyl]-4-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)C2CCCCN2C(=O)C3=CC=CS3)O

DOS

IR

Vibrations