Geometry & MOs

Info

ID:	439254
PubChem CID:	135229021
Reduced:	O4N7H21C27 (1)
Stoich.:	A4B7C21D27 (1)
Weight, g/mol:	525.121923
ΔH_f, kcal/mol:	-4.98
Dipole, Da:	11.55
IP(EA), eV:	-9.13(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-methylthiophen-2-yl)-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

CC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)N6

DOS

IR

Vibrations