Geometry & MOs

Info

ID:

134233

PubChem CID:

51666157

Reduced:

FO2N4H19C26 (1)

Stoich.:

AB2C4D19E26 (1)

Weight, g/mol:

438.149204

ΔHf, kcal/mol:

24.35

Dipole, Da:

4.31

IP(EA), eV:

 -8.41(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,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

C1=CC=C(C=C1)C(=O)[C@@H]2[C@H]([C@@]([C@@H]3N2C4=C(C=C3)C=C(C=C4)F)(C#N)C(=O)N)C5=CN=CC=C5

DOS

IR

Vibrations