Geometry & MOs

Info

ID:

409833

PubChem CID:

135082620

Reduced:

TiF2O4H32C39 (1)

Stoich.:

AB2C4D32E39 (1)

Weight, g/mol:

878.147006

ΔHf, kcal/mol:

-179.13

Dipole, Da:

3.77

IP(EA), eV:

 -7.98(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dichlorotitanium;12-[(4R,5R)-5-(12-hydroxy-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-naphthalen-1-yl-1,3-dioxolan-4-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C([C@H]2[C@@H](OC(O2)C3=CC=CC4=CC=CC=C43)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)(C7=CC=CC=C7)O.F[Ti]F

DOS

IR

Vibrations