Geometry & MOs

Info

ID:

409855

PubChem CID:

135082642

Reduced:

FeNOPH26C32 (1)

Stoich.:

ABCDE26F32 (1)

Weight, g/mol:

656.221757

ΔHf, kcal/mol:

90.12

Dipole, Da:

4.24

IP(EA), eV:

 -6.82(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=P([C]2[C]1[CH][CH][CH]2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations