Geometry & MOs

Info

ID:

377161

PubChem CID:

134223199

Reduced:

N3O3C19H27 (1)

Stoich.:

A3B3C19D27 (1)

Weight, g/mol:

442.23891

ΔHf, kcal/mol:

-109.96

Dipole, Da:

3.5

IP(EA), eV:

 -8.76(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,3aR,7S,9aR)-3a,5a,6,6,9a-pentamethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-2,3,4,5,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-7-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CCC(CO)N1C(=O)N2C3=C(C=CC(=C3)C(C)(C)C)OC(C2=N1)(C)C

DOS

IR

Vibrations