Geometry & MOs

Info

ID:

409835

PubChem CID:

135082622

Reduced:

O4H36C55 (1)

Stoich.:

A4B36C55 (1)

Weight, g/mol:

612.131356

ΔHf, kcal/mol:

71.04

Dipole, Da:

3.47

IP(EA), eV:

 -8.27(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3O[C@H]([C@@H](O3)C4(C5=C(C6=CC=CC=C6C=C5)C7=C4C=CC8=CC=CC=C87)O)C9(C1=C(C2=CC=CC=C2C=C1)C1=C9C=CC2=CC=CC=C21)O

DOS

IR

Vibrations