Geometry & MOs

Info

ID:	439266
PubChem CID:	135229033
Reduced:	O4N7H23C28 (1)
Stoich.:	A4B7C23D28 (1)
Weight, g/mol:	551.137573
ΔH_f, kcal/mol:	-5.81
Dipole, Da:	12.57
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylsulfanylphenyl)-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)N6C

DOS

IR

Vibrations