Geometry & MOs

Info

ID:	439215
PubChem CID:	135228981
Reduced:	Cl2O4N7H17C27 (1)
Stoich.:	A2B4C7D17E27 (1)
Weight, g/mol:	539.11088
ΔH_f, kcal/mol:	6.0
Dipole, Da:	6.78
IP(EA), eV:	-9.09(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)-5-oxo-1H-pyrazol-3-yl]-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2OC3=C4C(=NC=C3)NC(=O)C=N4)NC(=O)NC5=CC(=O)NN5C6=CC(=C(C=C6)Cl)Cl

DOS

IR

Vibrations