Geometry & MOs

Info

ID:

329126

PubChem CID:

126731331

Reduced:

PO7H46C53 (2)

Stoich.:

AB7C46D53 (2)

Weight, g/mol:

1581.594107

ΔHf, kcal/mol:

-330.85

Dipole, Da:

5.46

IP(EA), eV:

 -8.7(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[(4-ethenylphenyl)methoxy]-5-[[4-[4-[[4-[4-[4-[4-[[4-[(4-ethenylphenyl)methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenoxy]methoxy]-3,5-dimethylphenoxy]-2,3,5-trimethylphenyl]-2,3,6-trimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenyl]phenyl]methoxy]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)C3=CC=C(C=C3)COC4=CC(=C(C=C4)OC(=O)C(=C)C)P5(=O)C6=CC=CC=C6C7=CC=CC=C7O5)C)OC8=C(C(=C(C=C8C)C9=C(C(=C(C(=C9)C)OC1=CC(=C(C(=C1)C)OCC1=CC=C(C=C1)C1=CC=C(C=C1)COC1=C(C=C(C=C1)OC(=O)C(=C)C)P1(=O)C2=CC=CC=C2C2=CC=CC=C2O1)C)C)C)C)C

DOS

IR

Vibrations