Geometry & MOs

Info

ID:

335422

PubChem CID:

127254284

Reduced:

ClNO5C32H36 (1)

Stoich.:

ABC5D32E36 (1)

Weight, g/mol:

365.175771

ΔHf, kcal/mol:

-196.71

Dipole, Da:

4.96

IP(EA), eV:

 -8.8(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R,8R,11R,14R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol;hydrochloride

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCC2(CCCCC2[C@@H]1C3=CC=C(C=C3)Cl)O)OC4=CC5=C(C=C4)C6=C(CCCC6)C(=O)O5

DOS

IR

Vibrations