Geometry & MOs

Info

ID:

329123

PubChem CID:

126731325

Reduced:

O4C41H52 (1)

Stoich.:

A4B41C52 (1)

Weight, g/mol:

1406.434646

ΔHf, kcal/mol:

-154.26

Dipole, Da:

2.46

IP(EA), eV:

 -8.54(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4-[2-[4-[4-[3-carboxy-4-[4-methyl-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]phenoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]-2-[4-hydroxy-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]benzoic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1C)OC2=C(C=C(C=C2C)C(C)(C)C3=CC(=C(C(=C3)C)OC4=CC(=C(C(=C4)C)OCCC)C)C)C)C

DOS

IR

Vibrations