Geometry & MOs

Info

ID:

223887

PubChem CID:

85335705

Reduced:

N4O11C31H42 (1)

Stoich.:

A4B11C31D42 (1)

Weight, g/mol:

646.358922

ΔHf, kcal/mol:

-412.93

Dipole, Da:

5.55

IP(EA), eV:

 -8.57(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(2-azidoethyl)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2CCN(CC2)C(=O)C(C3CC3)NC(=O)C4=CC=C(C=C4)OC.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations