Geometry & MOs

Info

ID:	52494
PubChem CID:	12015373
Reduced:	SN2O5H14C20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	395.057592
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	5.82
IP(EA), eV:	-9.81(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(5,5-dioxodibenzothiophen-2-yl)-3,4a,6,8a-tetrahydro-2H-pyrido[3,4-d]pyridazine-1,4,5-trione

Drug info:

PubChemData

Smile

CC1=NNC(=O)C2C1C(=O)OC(=C2)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C54

DOS

IR

Vibrations