Geometry & MOs

Info

ID:

304649

PubChem CID:

124766017

Reduced:

N2O5C22H30 (1)

Stoich.:

A2B5C22D30 (1)

Weight, g/mol:

490.201634

ΔHf, kcal/mol:

-196.71

Dipole, Da:

4.65

IP(EA), eV:

 -9.11(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3OC)C(=O)N(C2=O)CC)C(=O)OCC

DOS

IR

Vibrations