Geometry & MOs

Info

ID:	386708
PubChem CID:	134982629
Reduced:	NO4C26H43 (1)
Stoich.:	AB4C26D43 (1)
Weight, g/mol:	484.35526
ΔH_f, kcal/mol:	-212.87
Dipole, Da:	1.18
IP(EA), eV:	-8.53(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-14-hydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]oxan-2-one

Drug info:

PubChemData

Smile

CCC/C/1=C(/C(=C\CC(CC1)(C(=O)OCC)C(=O)OCC)/CN2CCCCC2)\CCC

DOS

IR

Vibrations