Geometry & MOs

Info

ID:

376227

PubChem CID:

134222237

Reduced:

FO3N8C34H37 (1)

Stoich.:

AB3C8D34E37 (1)

Weight, g/mol:

840.409163

ΔHf, kcal/mol:

-55.55

Dipole, Da:

5.84

IP(EA), eV:

 -8.83(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,7R,8R,9R,11R,14E,15R,18S,19R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,19-hexamethyl-14-[(1R)-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

C1CCC2C(C1)CCCN2C3=NC=CC(=C3)NC(=O)C4CC(CC4C(=O)CN5C6=C(C=C(C=C6)C7=CN=NC=C7)C(=N5)C(=O)N)F

DOS

IR

Vibrations