Geometry & MOs

Info

ID:

17237

PubChem CID:

489675

Reduced:

N4O14C45H54 (1)

Stoich.:

A4B14C45D54 (1)

Weight, g/mol:

874.363652

ΔHf, kcal/mol:

-476.35

Dipole, Da:

6.83

IP(EA), eV:

 -8.52(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-27-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethoxy]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(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)C)O)OCC(=O)NNC(=O)C5=CC=NC=C5)C

DOS

IR

Vibrations