Geometry & MOs

Info

ID:

396609

PubChem CID:

135028841

Reduced:

SN2O7C25H32 (1)

Stoich.:

AB2C7D25E32 (1)

Weight, g/mol:

278.188195

ΔHf, kcal/mol:

-188.13

Dipole, Da:

7.49

IP(EA), eV:

 -9.72(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,5aR,6S,7S,9aS,9bS)-7-hydroxy-6,9a,9b-trimethyl-1-oxo-3,3a,4,5,5a,7,8,9-octahydro-2H-cyclopenta[a]naphthalene-6-carbaldehyde

Drug info:

PubChemData

Smile

C/C=C\1/CN([C@H]2C[C@@H]1[C@H]([C@@H](C2=O)CC=C)COC(=O)C(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations