Geometry & MOs

Info

ID:	396233
PubChem CID:	135027809
Reduced:	NO2F3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	457.188923
ΔH_f, kcal/mol:	-209.85
Dipole, Da:	5.39
IP(EA), eV:	-9.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3R,4S,5S)-6-oxo-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C[C@]1(C2=C(C=CC(=C2)C3=CC=CC=C3)C(=O)N(C1=O)C)CC(F)(F)F

DOS

IR

Vibrations