Geometry & MOs

Info

ID:

409840

PubChem CID:

135082627

Reduced:

O4H34C47 (1)

Stoich.:

A4B34C47 (1)

Weight, g/mol:

696.131356

ΔHf, kcal/mol:

5.68

Dipole, Da:

2.07

IP(EA), eV:

 -8.4(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)C

DOS

IR

Vibrations