Geometry & MOs

Info

ID:

384801

PubChem CID:

134977693

Reduced:

O3S3C57H70 (1)

Stoich.:

A3B3C57D70 (1)

Weight, g/mol:

454.278938

ΔHf, kcal/mol:

-64.76

Dipole, Da:

4.72

IP(EA), eV:

 -8.27(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,2-ditert-butyl-3-(2-phenylpropan-2-yl)cycloprop-2-en-1-yl]-diphenylphosphane

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(S2)C3C(C3=C4C=CC(=C5C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C)S4)C6=CC=C(S6)C7=CC(=C(C(=C7)C(C)(C)C)O)C(C)(C)C

DOS

IR

Vibrations