Geometry & MOs

Info

ID:	218821
PubChem CID:	85090029
Reduced:	O6C31H46 (1)
Stoich.:	A6B31C46 (1)
Weight, g/mol:	514.365825
ΔH_f, kcal/mol:	-252.29
Dipole, Da:	1.67
IP(EA), eV:	-8.9(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,6-dihydroxy-4,12,12-trimethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl) tetradecanoate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CC=C(C6)OC(=O)C)C)OC(=O)C)C)C)OC1

DOS

IR

Vibrations