Geometry & MOs

Info

ID:	269087
PubChem CID:	103611947
Reduced:	BrClN2S2O3H10C12 (1)
Stoich.:	ABC2D2E3F10G12 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	6.02
IP(EA), eV:	-9.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-yl-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(=O)NCC2=CC=C(S2)S(=O)(=O)N)Br

DOS

IR

Vibrations