Geometry & MOs

Info

ID:	439309
PubChem CID:	135229079
Reduced:	SN3O3C10H11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	563.228102
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	4.68
IP(EA), eV:	-9.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=O)N2)N

DOS

IR

Vibrations