Geometry & MOs

Info

ID:

392598

PubChem CID:

135017305

Reduced:

FO4H13C15 (1)

Stoich.:

AB4C13D15 (1)

Weight, g/mol:

413.147452

ΔHf, kcal/mol:

-169.18

Dipole, Da:

2.89

IP(EA), eV:

 -9.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,9R,18R)-18-(methoxymethyl)-5-methyl-6,11,16-trioxo-13-oxa-1-azapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H](C=C1F)OCC3=CC=CC=C3)C(=O)OC2=O

DOS

IR

Vibrations