Geometry & MOs

Info

ID:	383565
PubChem CID:	134975354
Reduced:	PO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	320.084678
ΔH_f, kcal/mol:	-203.17
Dipole, Da:	2.55
IP(EA), eV:	-8.26(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-chloro-1-hydroxy-6-oxabicyclo[3.2.1]octane-3,7-dione

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CCCC[C@@]12CCC=C2C3=CC=CC=C3OC)OCC

DOS

IR

Vibrations