Geometry & MOs

Info

ID:

7958

PubChem CID:

74532

Reduced:

Cl2Na2O6H14C23 (1)

Stoich.:

A2B2C6D14E23 (1)

Weight, g/mol:

501.996282

ΔHf, kcal/mol:

-284.15

Dipole, Da:

10.91

IP(EA), eV:

 -8.43(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)[O-])C)C3=C(C=CC=C3Cl)Cl.[Na+].[Na+]

DOS

IR

Vibrations