Geometry & MOs

Info

ID:

7603

PubChem CID:

73475

Reduced:

NSO8C22H25 (1)

Stoich.:

ABC8D22E25 (1)

Weight, g/mol:

463.130088

ΔHf, kcal/mol:

-265.83

Dipole, Da:

7.55

IP(EA), eV:

 -8.44(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,7aR,12bS)-3-(furan-3-ylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;methanesulfonic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)O.C1C[C@]2([C@@H]3CC4=C5[C@@]2(CCN3CC6=COC=C6)[C@H](C1=O)OC5=C(C=C4)O)O

DOS

IR

Vibrations