Geometry & MOs

Info

ID:	274664
PubChem CID:	103810932
Reduced:	SN2O3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	289.146013
ΔH_f, kcal/mol:	-120.4
Dipole, Da:	8.03
IP(EA), eV:	-9.14(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminopiperidin-1-yl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2CNC2

DOS

IR

Vibrations