Geometry & MOs

Info

ID:	171937
PubChem CID:	75443891
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	7.49
IP(EA), eV:	-9.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)NCC2(CCCCC2)CCO

DOS

IR

Vibrations