Geometry & MOs

Info

ID:	137409
PubChem CID:	52204322
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	390.159986
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	8.58
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,6-dimethylpyrimidin-3-ium-4-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC=CC(=C1)CNC(=O)[C@@H]2CC(=O)N(C2)CCC3=CC=CC=C3

DOS

IR

Vibrations