Geometry & MOs

Info

ID:	283941
PubChem CID:	104021837
Reduced:	S2N4O4C7H14 (1)
Stoich.:	A2B4C4D7E14 (1)
Weight, g/mol:	358.00991
ΔH_f, kcal/mol:	-128.81
Dipole, Da:	3.48
IP(EA), eV:	-10.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-2-methylphenyl)-4-propyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1S(=O)(=O)N)CS(=O)(=O)C

DOS

IR

Vibrations