Geometry & MOs

Info

ID:	140369
PubChem CID:	52687497
Reduced:	NCl2S2O4C13H13 (1)
Stoich.:	AB2C2D4E13F13 (1)
Weight, g/mol:	308.070989
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	4.83
IP(EA), eV:	-8.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]propyl]-N-ethylmethanesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(SC(=C2)Cl)Cl)CO

DOS

IR

Vibrations