Geometry & MOs

Info

ID:

329124

PubChem CID:

126731327

Reduced:

P2O15H72C86 (1)

Stoich.:

A2B15C72D86 (1)

Weight, g/mol:

1613.656707

ΔHf, kcal/mol:

-443.98

Dipole, Da:

7.44

IP(EA), eV:

 -8.97(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)OC3=C(C=C(C=C3C)OC4=C(C=C(C=C4C)C(C)(C)C5=CC(=C(C(=C5)C)OC6=CC(=C(C(=C6)C)OC7=CC(=C(C=C7)OC8=CC(=C(C=C8)O)P9(=O)C1=CC=CC=C1C1=CC=CC=C1O9)C(=O)O)C)C)C)C)C(=O)O)P1(=O)C2=CC=CC=C2C2=CC=CC=C2O1

DOS

IR

Vibrations