Geometry & MOs

Info

ID:	396031
PubChem CID:	135027226
Reduced:	O3C8H10 (1)
Stoich.:	A3B8C10 (1)
Weight, g/mol:	429.183262
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	3.15
IP(EA), eV:	-10.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S,2S)-3'-chloro-4',5',7'-trihydroxy-2-(6-methylhept-5-en-2-yl)-4-propan-2-ylidenespiro[cyclopentane-1,1'-naphthalene]-2'-one

Drug info:

PubChemData

Smile

COC(=O)C1=CCC[C@H]2[C@@H]1O2

DOS

IR

Vibrations