Geometry & MOs

Info

ID:	283924
PubChem CID:	104021237
Reduced:	SO2N4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	246.115047
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	5.64
IP(EA), eV:	-10.08(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-5-propyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=NN=C1S(=O)(=O)N)C2CC2

DOS

IR

Vibrations