Geometry & MOs

Info

ID:

336366

PubChem CID:

127255373

Reduced:

NOCl2F3C9H10 (1)

Stoich.:

ABC2D3E9F10 (1)

Weight, g/mol:

1283.993737

ΔHf, kcal/mol:

-229.34

Dipole, Da:

5.63

IP(EA), eV:

-9.67(-0.93)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] octadecanoate;octadecanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@H](CO)N)C(F)(F)F)Cl.Cl

DOS

IR

Vibrations