Geometry & MOs

Info

ID:

329127

PubChem CID:

126731332

Reduced:

P2O12H90C103 (1)

Stoich.:

A2B12C90D103 (1)

Weight, g/mol:

1765.719308

ΔHf, kcal/mol:

-238.2

Dipole, Da:

8.0

IP(EA), eV:

 -8.66(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-[4-[[3-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]phenoxy]methyl]phenoxy]phenyl]methoxy]-3,5-dimethylphenoxy]-5-[2-[4-[4-[[4-[4-[[2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]phenoxy]methyl]phenoxy]phenyl]methoxy]-3,5-dimethylphenoxy]-3,5-dimethylphenyl]propan-2-yl]-1,3-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CC=C(C=C2)C3=CC=C(C=C3)COC4=CC(=C(C=C4)OCC5=CC=C(C=C5)C=C)P6(=O)C7=CC=CC=C7C8=CC=CC=C8O6)C)OC9=C(C(=C(C=C9C)C1=C(C(=C(C(=C1)C)OC1=CC(=C(C(=C1)C)OCOC1=C(C=C(C=C1)OCC1=CC=C(C=C1)C=C)P1(=O)C2=CC=CC=C2C2=CC=CC=C2O1)C)C)C)C)C

DOS

IR

Vibrations