Geometry & MOs

Info

ID:	78651
PubChem CID:	49703423
Reduced:	N4O5C20H22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	442.094705
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	4.98
IP(EA), eV:	-8.83(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C(=O)N)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations