Geometry & MOs

Info

ID:

17028

PubChem CID:

482431

Reduced:

N3O13C47H55 (1)

Stoich.:

A3B13C47D55 (1)

Weight, g/mol:

869.373489

ΔHf, kcal/mol:

-453.45

Dipole, Da:

9.35

IP(EA), eV:

 -8.6(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,37-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,32-trioxo-30-pyrrolidin-1-yl-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1(36),2,4,9,19,21,25(37),26(35),28,30,33-undecaen-13-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2OC6=CC(=CC(=O)C6=N5)N7CCCC7)O)C

DOS

IR

Vibrations