Geometry & MOs

Info

ID:	69981
PubChem CID:	47206307
Reduced:	ClSN2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	322.123025
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	4.41
IP(EA), eV:	-9.54(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(1-propylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CCC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations