Geometry & MOs

Info

ID:	343705
PubChem CID:	127266881
Reduced:	ClNSO4C13H20 (1)
Stoich.:	ABCD4E13F20 (1)
Weight, g/mol:	316.039689
ΔH_f, kcal/mol:	-184.06
Dipole, Da:	3.42
IP(EA), eV:	-9.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-hydroxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(CCCO)CNS(=O)(=O)C1=C(C(=CC=C1)Cl)O

DOS

IR

Vibrations