Geometry & MOs

Info

ID:

161441

PubChem CID:

57391685

Reduced:

F3N4O4C23H23 (1)

Stoich.:

A3B4C4D23E23 (1)

Weight, g/mol:

931.530658

ΔHf, kcal/mol:

-235.72

Dipole, Da:

11.59

IP(EA), eV:

 -9.28(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-2-ethyl-8-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(prop-2-enyl)amino]oxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-15-(4-pyrrolo[2,3-b]pyridin-1-ylbutyl)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl] 2-pyridin-3-ylacetate

Drug info:

PubChemData

Smile

CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CN(N=C2)C3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations