Geometry & MOs

Info

ID:	15463
PubChem CID:	442280
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-147.66
Dipole, Da:	4.14
IP(EA), eV:	-10.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,7R,9R,10S,11S)-9-methyl-4-methylidene-6,12-dioxatetracyclo[9.2.2.01,10.03,7]pentadecane-5,14-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2[C@H](C[C@@]34[C@H]1[C@H](CC3=O)OC4)C(=C)C(=O)O2

DOS

IR

Vibrations