Geometry & MOs

Info

ID:	195742
PubChem CID:	78729483
Reduced:	SN3O6C16H17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	256.202502
ΔH_f, kcal/mol:	-142.66
Dipole, Da:	9.39
IP(EA), eV:	-8.86(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(tert-butylcarbamoyl)-2-(2-methylpiperidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NS(=O)(=O)C2C=CC3=NC(=O)NC3=C2

DOS

IR

Vibrations