Geometry & MOs

Info

ID:

161462

PubChem CID:

57391735

Reduced:

FNO2H6C7 (2)

Stoich.:

ABC2D6E7 (2)

Weight, g/mol:

751.43069

ΔHf, kcal/mol:

-113.25

Dipole, Da:

3.97

IP(EA), eV:

-9.77(-1.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(prop-2-enyl)amino]oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-(3-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCCOC2=C(C=C(C=C2)F)F)[N+](=O)[O-]

DOS

IR

Vibrations