Geometry & MOs

Info

ID:	380158
PubChem CID:	134970360
Reduced:	NF2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	514.16235
ΔH_f, kcal/mol:	-91.53
Dipole, Da:	5.05
IP(EA), eV:	-10.56(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)/C=C/[C@@H]1C(C1(F)F)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations