Geometry & MOs

Info

ID:

304928

PubChem CID:

124766322

Reduced:

N2O3C13H17 (2)

Stoich.:

A2B3C13D17 (2)

Weight, g/mol:

498.247835

ΔHf, kcal/mol:

-177.47

Dipole, Da:

8.63

IP(EA), eV:

 -9.02(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5S,6R,7R)-2-N-cyclohexyl-7-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H]2[C@@H]3C(=O)N([C@@H]([C@@]34C=C[C@]2(O4)C)C(=O)NC5CCCCC5)C[C@@H]6CCCO6

DOS

IR

Vibrations