Geometry & MOs

Info

ID:

127761

PubChem CID:

51014282

Reduced:

O3C16H18 (1)

Stoich.:

A3B16C18 (1)

Weight, g/mol:

522.182458

ΔHf, kcal/mol:

-85.56

Dipole, Da:

1.64

IP(EA), eV:

 -9.24(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,4S,18R,20S,23R)-23-methoxy-22-oxo-21-oxa-6,16-diazahexacyclo[18.2.1.02,18.04,16.05,13.07,12]tricosa-5(13),7(12),8,10-tetraen-9-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@]12C(C(=O)[C@@H](O1)[C@H](O2)/C=C/C3=CC=CC=C3)(C)C

DOS

IR

Vibrations