Geometry & MOs

Info

ID:

376522

PubChem CID:

134222540

Reduced:

FO3N9C26H26 (1)

Stoich.:

AB3C9D26E26 (1)

Weight, g/mol:

826.393513

ΔHf, kcal/mol:

-6.01

Dipole, Da:

5.65

IP(EA), eV:

 -8.35(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,7R,8R,9R,14E,15R,18S,19R)-2-ethyl-8-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-9-methoxy-1,5,7,9,11,19-hexamethyl-14-[(1S)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethoxy]imino-3,17-dioxa-13-azatricyclo[10.5.2.015,18]nonadec-12-ene-4,6,16-trione

Drug info:

PubChemData

Smile

C1CN2C(=C(CN2)NC(=O)C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F)C=C1

DOS

IR

Vibrations