Geometry & MOs

Info

ID:

340777

PubChem CID:

127262789

Reduced:

OPC25H30 (2)

Stoich.:

ABC25D30 (2)

Weight, g/mol:

894.563356

ΔHf, kcal/mol:

-100.8

Dipole, Da:

2.63

IP(EA), eV:

 -8.33(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-tert-butyl-2-[[2-[[5-tert-butyl-3-(3,5-dimethyl-1-adamantyl)-2-hydroxyphenyl]methyl-phenylphosphanyl]ethyl-phenylphosphanyl]methyl]-6-(3,5-dimethyl-1-adamantyl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C23CC4CC(C2)CC(C4)C3)O)C[P@@](CC[P@](CC5=C(C(=CC(=C5)C)C67CC8CC(C6)CC(C8)C7)O)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations