Geometry & MOs

Info

ID:

409850

PubChem CID:

135082637

Reduced:

OH9C13 (4)

Stoich.:

AB9C13 (4)

Weight, g/mol:

726.206107

ΔHf, kcal/mol:

43.67

Dipole, Da:

2.7

IP(EA), eV:

 -8.34(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

difluorotitanium;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2-naphthalen-1-yl-2-phenyl-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)C1=CC=CC=C1

DOS

IR

Vibrations