Geometry & MOs

Info

ID:	283925
PubChem CID:	104021263
Reduced:	SO2N4C9H18 (1)
Stoich.:	AB2C4D9E18 (1)
Weight, g/mol:	300.071468
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	5.75
IP(EA), eV:	-10.19(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-5-(5-methylthiophen-2-yl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1C(C)(C)C)S(=O)(=O)N

DOS

IR

Vibrations