Geometry & MOs

Info

ID:

329133

PubChem CID:

126731355

Reduced:

PO5H42C44 (2)

Stoich.:

AB5C42D44 (2)

Weight, g/mol:

1533.594107

ΔHf, kcal/mol:

-237.12

Dipole, Da:

11.46

IP(EA), eV:

 -8.64(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-diphenylphosphoryl-4-[[4-[4-[[4-[4-[2-[4-[4-[[4-[4-[(3-diphenylphosphoryl-4-hydroxyphenoxy)methyl]phenoxy]phenyl]methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-2,6-dimethylphenoxy]methyl]phenoxy]phenyl]methoxy]phenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2=CC(=C(C(=C2)C)OCC3=CC=C(C=C3)COC4=CC(=C(C=C4)O)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6)C)C)C(C)(C)C7=CC(=C(C(=C7)C)OC8=CC(=C(C(=C8)C)OC(C)C9=CC=C(C=C9)COC1=C(C=C(C=C1)O)P(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C)C

DOS

IR

Vibrations