Geometry & MOs

Info

ID:	245515
PubChem CID:	99453650
Reduced:	SN2O3H24C26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	424.107064
ΔH_f, kcal/mol:	-0.51
Dipole, Da:	0.39
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations