Geometry & MOs

Info

ID:	134893
PubChem CID:	51777123
Reduced:	NF2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	240.099774
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.117937
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S)-5-(phenylmethoxymethyl)oxolane-2,3,4-triol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1F)C[NH3+])F

DOS

IR

Vibrations