Geometry & MOs

Info

ID:

329416

PubChem CID:

126736481

Reduced:

P2O12H98C105 (1)

Stoich.:

A2B12C98D105 (1)

Weight, g/mol:

562.190911

ΔHf, kcal/mol:

-208.69

Dipole, Da:

7.88

IP(EA), eV:

 -8.53(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C)OCC3=CC=C(C=C3)OC4=CC=C(C=C4)COC5=CC(=C(C=C5)OCC=C)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)C)C)C8=CC(=C(C(=C8)C)OC9=CC(=C(C(=C9)C)OC(C)(C)CC1=CC=C(C=C1)OC1=CC=C(C=C1)COC1=C(C=C(C=C1)OCC=C)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C)C

DOS

IR

Vibrations