Geometry & MOs

Info

ID:	51871
PubChem CID:	12014631
Reduced:	SO8H16C21 (1)
Stoich.:	AB8C16D21 (1)
Weight, g/mol:	381.030708
ΔH_f, kcal/mol:	-251.16
Dipole, Da:	5.79
IP(EA), eV:	-9.79(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-6-(5,5-dioxodibenzothiophen-2-yl)-2-oxo-3,4-dihydropyran-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C=C(OC1=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations