Geometry & MOs

Info

ID:

304820

PubChem CID:

124766207

Reduced:

N2O7H22C23 (1)

Stoich.:

A2B7C22D23 (1)

Weight, g/mol:

489.206385

ΔHf, kcal/mol:

-234.53

Dipole, Da:

2.89

IP(EA), eV:

 -8.51(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)C(=O)OC

DOS

IR

Vibrations