Geometry & MOs

Info

ID:	391776
PubChem CID:	135009449
Reduced:	NCl2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	518.230453
ΔH_f, kcal/mol:	-47.94
Dipole, Da:	2.31
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,6R,7R,8S,9S)-3-hydroxy-6-methoxy-3-methyl-7,8,9-tris(phenylmethoxy)-5-oxaspiro[3.5]nonan-2-one

Drug info:

PubChemData

Smile

CON1C2=C(C=CC(=C2)Cl)C(C1=O)(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations