Geometry & MOs

Info

ID:	127788
PubChem CID:	51015261
Reduced:	SiCl2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	276.063388
ΔH_f, kcal/mol:	-211.82
Dipole, Da:	1.54
IP(EA), eV:	-9.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10S,12S,14S)-9,9-dihydroxy-11,15,16-trioxapentacyclo[10.3.1.110,14.01,10.02,7]heptadeca-2,4,6-trien-8-one

Drug info:

PubChemData

Smile

COC1([C@]2(C[C@H]([C@]1(C(=O)[C@H]2O)Cl)[Si](C)(C)C)Cl)OC

DOS

IR

Vibrations