Geometry & MOs

Info

ID:

83552

PubChem CID:

49857855

Reduced:

NSO8C39H63 (1)

Stoich.:

ABC8D39E63 (1)

Weight, g/mol:

406.11436

ΔHf, kcal/mol:

-400.16

Dipole, Da:

12.48

IP(EA), eV:

 -9.68(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,7S,10R)-14-bromo-2,6,6,10-tetramethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),13,15,17-tetraene-15,16-diol

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C[N+]6=CC=CC=C6)O)O)O)C)C.CS(=O)(=O)[O-]

DOS

IR

Vibrations