Geometry & MOs

Info

ID:	439311
PubChem CID:	135229081
Reduced:	O4N5C27H29 (1)
Stoich.:	A4B5C27D29 (1)
Weight, g/mol:	612.153952
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	10.38
IP(EA), eV:	-8.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(methylsulfamoylmethyl)phenyl]-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)OCCN5CCOCC5

DOS

IR

Vibrations