Geometry & MOs

Info

ID:

47442

PubChem CID:

10532689

Reduced:

SSiN3O7C36H47 (1)

Stoich.:

ABC3D7E36F47 (1)

Weight, g/mol:

693.460453

ΔHf, kcal/mol:

-219.49

Dipole, Da:

4.54

IP(EA), eV:

 -8.92(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(10E)-9,32-dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-3-methyloxolan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=CC=CC=C3C(=O)N4CCCCCC4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])[C@@H](C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations