Geometry & MOs

Info

ID:	70384
PubChem CID:	48413272
Reduced:	SO4N5C16H19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	367.156577
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	6.65
IP(EA), eV:	-8.37(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N(CC2=C(C=CC(=C2)OC)OC)S(=O)(=O)C3=CNN=C3

DOS

IR

Vibrations