Geometry & MOs

Info

ID:	148105
PubChem CID:	53787767
Reduced:	OBr2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	554.230453
ΔH_f, kcal/mol:	17.36
Dipole, Da:	4.28
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=CCCBr)C3=C(O1)C=C(C=C3)Br

DOS

IR

Vibrations