Geometry & MOs

Info

ID:	160712
PubChem CID:	57389526
Reduced:	O3C16H23 (2)
Stoich.:	A3B16C23 (2)
Weight, g/mol:	474.334525
ΔH_f, kcal/mol:	-257.49
Dipole, Da:	4.71
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13E,15R)-5-hydroxy-12,15-dimethyl-11-[(1E,3E)-octa-1,3-dienyl]-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-9-one

Drug info:

PubChemData

Smile

C[C@@H]\1CC2CCCC(O2)CC3CC(=C)CC(O3)CC(=O)OC(C(/C=C1)C)/C=C/C=C\C=C(/C)\CC(=O)OC

DOS

IR

Vibrations