Geometry & MOs

Info

ID:	283926
PubChem CID:	104021279
Reduced:	O2S2N4C11H16 (1)
Stoich.:	A2B2C4D11E16 (1)
Weight, g/mol:	302.177647
ΔH_f, kcal/mol:	-24.56
Dipole, Da:	6.34
IP(EA), eV:	-9.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NN=C(N2C(C)(C)C)S(=O)(=O)N

DOS

IR

Vibrations