Geometry & MOs

Info

ID:

214565

PubChem CID:

85083202

Reduced:

PN4O7C26H39 (1)

Stoich.:

AB4C7D26E39 (1)

Weight, g/mol:

550.254223

ΔHf, kcal/mol:

-321.65

Dipole, Da:

2.02

IP(EA), eV:

 -8.62(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(16-hydroxy-5,9,12,13,16-pentamethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-14-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=C(C=C2)CP(=O)(OC)OC)N3C=C(N=C3)N

DOS

IR

Vibrations