Geometry & MOs

Info

ID:

335407

PubChem CID:

127254269

Reduced:

ClNO5C31H32 (1)

Stoich.:

ABC5D31E32 (1)

Weight, g/mol:

429.228201

ΔHf, kcal/mol:

-183.37

Dipole, Da:

5.47

IP(EA), eV:

 -8.79(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6S,8S,10R,13S,16S,17S)-11-ethyl-4,6-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,13,16-triol;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)N4CCC5(CCCCC5[C@@H]4C6=CC=C(C=C6)Cl)O)C)C

DOS

IR

Vibrations