Geometry & MOs

Info

ID:

409843

PubChem CID:

135082630

Reduced:

O2H19C28 (2)

Stoich.:

A2B19C28 (2)

Weight, g/mol:

594.206107

ΔHf, kcal/mol:

62.27

Dipole, Da:

2.72

IP(EA), eV:

 -8.31(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,5R)-2-tert-butyl-5-[hydroxy(diphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]-diphenylmethanol;difluorotitanium

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)C2(C3=C(C4=CC=CC=C4C=C3)C5=C2C=CC6=CC=CC=C65)O)C7(C8=C(C9=CC=CC=C9C=C8)C1=C7C=CC2=CC=CC=C21)O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations