Geometry & MOs

Info

ID:	384575
PubChem CID:	134977246
Reduced:	O2C9H17 (2)
Stoich.:	A2B9C17 (2)
Weight, g/mol:	408.225135
ΔH_f, kcal/mol:	-189.16
Dipole, Da:	2.89
IP(EA), eV:	-9.96(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-3-butyl-4-[tert-butyl(dimethyl)silyl]oxy-2-(8-chloroocta-2,4-diynyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

COC(CCCCCC#CCCCCCC(OC)OC)OC

DOS

IR

Vibrations