Geometry & MOs

Info

ID:	283963
PubChem CID:	104022599
Reduced:	SO3N4C7H14 (1)
Stoich.:	AB3C4D7E14 (1)
Weight, g/mol:	304.074245
ΔH_f, kcal/mol:	-84.59
Dipole, Da:	6.37
IP(EA), eV:	-10.22(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(1-phenylpyrazol-4-yl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCOCCC1=NN=C(N1C)S(=O)(=O)N

DOS

IR

Vibrations