Geometry & MOs

Info

ID:	381285
PubChem CID:	134971970
Reduced:	NO6C19H35 (1)
Stoich.:	AB6C19D35 (1)
Weight, g/mol:	384.178418
ΔH_f, kcal/mol:	-324.89
Dipole, Da:	4.93
IP(EA), eV:	-9.65(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,8R,9S,10R,11R)-9-(acetyloxymethyl)-10-hydroxy-2,6,6,10-tetramethyl-5,7,12-trioxatetracyclo[9.2.1.01,8.04,8]tetradecane-9-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCO[C@H]([C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations