Geometry & MOs

Info

ID:

304758

PubChem CID:

124766135

Reduced:

N2O6C23H24 (1)

Stoich.:

A2B6C23D24 (1)

Weight, g/mol:

468.23727

ΔHf, kcal/mol:

-195.57

Dipole, Da:

3.77

IP(EA), eV:

 -8.97(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](N[C@H]2C3=CC=C(C=C3)O)(CC4=CC=C(C=C4)O)C(=O)OC

DOS

IR

Vibrations