Geometry & MOs

Info

ID:	283927
PubChem CID:	104021282
Reduced:	SO2N4C13H26 (1)
Stoich.:	AB2C4D13E26 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	5.62
IP(EA), eV:	-10.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-5-[(4-methylphenyl)methyl]-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCCC1=NN=C(N1C(C)(C)C)S(=O)(=O)N

DOS

IR

Vibrations