Geometry & MOs

Info

ID:

233467

PubChem CID:

90944721

Reduced:

NSO8C22H35 (1)

Stoich.:

ABC8D22E35 (1)

Weight, g/mol:

559.174336

ΔHf, kcal/mol:

-330.29

Dipole, Da:

2.33

IP(EA), eV:

 -9.78(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(4E)-5-[1,3-dihydroxy-2-(3-hydroxyquinolin-2-yl)-2,3-dihydro-1H-inden-5-yl]penta-1,2,4-trienyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCCC2C1C(=O)N(C2=O)OS(=O)(=O)C.CC1(C2CCC(C2)C1OC)C(=O)OC

DOS

IR

Vibrations