Geometry & MOs

Info

ID:

335405

PubChem CID:

127254267

Reduced:

ClNO5C30H32 (1)

Stoich.:

ABC5D30E32 (1)

Weight, g/mol:

664.23593

ΔHf, kcal/mol:

-193.95

Dipole, Da:

8.54

IP(EA), eV:

 -9.1(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4S,5R,8S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)N4CCC5(CCCCC5[C@@H]4C6=CC=C(C=C6)Cl)O

DOS

IR

Vibrations