Geometry & MOs

Info

ID:	5038
PubChem CID:	12492
Reduced:	ClSN3O3C14H20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	345.09139
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	4.31
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-sulfamoylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C

DOS

IR

Vibrations