Geometry & MOs

Info

ID:	398483
PubChem CID:	135033483
Reduced:	BrNOPH22C25 (1)
Stoich.:	ABCDE22F25 (1)
Weight, g/mol:	208.074702
ΔH_f, kcal/mol:	63.14
Dipole, Da:	12.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897486
Charge, e:	0

Chem-info

IUPAC name:

(2E,3R,4S,5S,6R)-2-(1-fluoroethylidene)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

COCC1=CN=C(C=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations