Geometry & MOs

Info

ID:

409851

PubChem CID:

135082638

Reduced:

TiF2O4H36C45 (1)

Stoich.:

AB2C4D36E45 (1)

Weight, g/mol:

640.26136

ΔHf, kcal/mol:

-133.48

Dipole, Da:

3.46

IP(EA), eV:

 -7.61(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-naphthalen-1-yl-2-phenyl-1,3-dioxolan-4-yl]-diphenylmethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(O[C@H]([C@@H](O2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C7=CC=CC8=CC=CC=C87.F[Ti]F

DOS

IR

Vibrations