Geometry & MOs

Info

ID:

134232

PubChem CID:

51666111

Reduced:

N2O6H22C25 (1)

Stoich.:

A2B6C22D25 (1)

Weight, g/mol:

438.149204

ΔHf, kcal/mol:

-143.89

Dipole, Da:

5.37

IP(EA), eV:

 -8.83(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,3R,3aR)-1-benzoyl-3-cyano-7-fluoro-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@@H]5[C@@H]4C(=NO5)C6=CC=C(C=C6)OC

DOS

IR

Vibrations