Geometry & MOs

Info

ID:

144138

PubChem CID:

53319632

Reduced:

O3C16H26 (2)

Stoich.:

A3B16C26 (2)

Weight, g/mol:

320.198759

ΔHf, kcal/mol:

-337.43

Dipole, Da:

2.19

IP(EA), eV:

 -9.08(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-16-hydroxy-4-methyl-14-propoxy-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H](CC=C4[C@@]3([C@@H](C[C@H]2C1(C)C)O)C)[C@@H]5C[C@H]([C@@H](C(OC5)(C)C)O)O)C)C

DOS

IR

Vibrations