Geometry & MOs

Info

ID:	439251
PubChem CID:	135229018
Reduced:	SN4O4C14H16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	583.127403
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	7.58
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylsulfonylphenyl)-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=C(C(=NC(=C1O)C)NN(O)SC2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations