Geometry & MOs

Info

ID:

15497

PubChem CID:

442719

Reduced:

ClNO8C21H30 (1)

Stoich.:

ABC8D21E30 (1)

Weight, g/mol:

459.165995

ΔHf, kcal/mol:

-347.91

Dipole, Da:

3.4

IP(EA), eV:

 -9.31(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,4R,6R,7R)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN(CC=C(C2=O)COC(=O)[C@]1(C)OC(=O)C)C)([C@@H](C)Cl)O

DOS

IR

Vibrations