Geometry & MOs

Info

ID:	283949
PubChem CID:	104022117
Reduced:	OSN2C4H5 (2)
Stoich.:	ABC2D4E5 (2)
Weight, g/mol:	256.074245
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	3.68
IP(EA), eV:	-9.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole-5-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C2=NNC(=N2)S(=O)(=O)N

DOS

IR

Vibrations