Geometry & MOs

Info

ID:	402002
PubChem CID:	135053779
Reduced:	BrC12H15 (1)
Stoich.:	AB12C15 (1)
Weight, g/mol:	339.99605
ΔH_f, kcal/mol:	14.6
Dipole, Da:	1.83
IP(EA), eV:	-9.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-3,4,5-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC[C@@H](C)/C=C(/C1=CC=CC=C1)\Br

DOS

IR

Vibrations