Geometry & MOs

Info

ID:	70389
PubChem CID:	48413280
Reduced:	SO4N5C17H23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	408.183127
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	5.34
IP(EA), eV:	-8.56(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N(CC2=C(C=CC(=C2)OC)OC)S(=O)(=O)N(C)CCC#N

DOS

IR

Vibrations