Geometry & MOs

Info

ID:	392278
PubChem CID:	135014104
Reduced:	O7C27H34 (1)
Stoich.:	A7B27C34 (1)
Weight, g/mol:	418.30831
ΔH_f, kcal/mol:	-221.01
Dipole, Da:	5.66
IP(EA), eV:	-9.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6S)-2-hydroxy-4-tridecyl-5,7-dioxadispiro[5.1.58.26]pentadeca-9,12-dien-11-one

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C=CC1(CC)O)CCC(=O)C[C@@H]2CC(C[C@@]3(O2)CCC4(O3)C=CC(=O)C=C4)O

DOS

IR

Vibrations