Geometry & MOs

Info

ID:

168328

PubChem CID:

74952446

Reduced:

O3N4C24H25 (2)

Stoich.:

A3B4C24D25 (2)

Weight, g/mol:

682.146188

ΔHf, kcal/mol:

-132.47

Dipole, Da:

3.82

IP(EA), eV:

 -8.35(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-(5-chlorothiophen-2-yl)-1-hydroxydeca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2CCCN2C(=O)C(C3=CC=CC=C3)NC(=O)OC)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=C(NC(=N6)C7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)OC)C

DOS

IR

Vibrations