Geometry & MOs

Info

ID:	233970
PubChem CID:	92297448
Reduced:	ClO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	426.27701
ΔH_f, kcal/mol:	-142.01
Dipole, Da:	3.19
IP(EA), eV:	-9.92(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S,5'R,6R,7R,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16,19-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C1)C(=O)/C(=C\C2=CC(=CC=C2)Cl)/C(=O)C(=O)O

DOS

IR

Vibrations