Geometry & MOs

Info

ID:	381999
PubChem CID:	134972896
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	500.12751
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	2.47
IP(EA), eV:	-9.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)-2-iodocyclopent-2-en-1-ol

Drug info:

PubChemData

Smile

CC1C2[C@H](O[C@H](O2)CC1=O)C3=CC=CC=C3

DOS

IR

Vibrations