Geometry & MOs

Info

ID:

49699

PubChem CID:

11533589

Reduced:

S2N3O4C26H29 (1)

Stoich.:

A2B3C4D26E29 (1)

Weight, g/mol:

511.239244

ΔHf, kcal/mol:

-97.3

Dipole, Da:

4.92

IP(EA), eV:

 -8.9(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-(2-phenyl-1,3-thiazol-4-yl)-1-oxacyclohexadeca-10,13-diene-2,6-dione

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations