Geometry & MOs

Info

ID:

308147

PubChem CID:

125317151

Reduced:

O3N4C21H22 (1)

Stoich.:

A3B4C21D22 (1)

Weight, g/mol:

454.145261

ΔHf, kcal/mol:

43.12

Dipole, Da:

7.03

IP(EA), eV:

 -8.76(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,3R,3aR,6aR)-5'-fluoro-5-[(4-fluorophenyl)methyl]-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=N\NC(=O)[C@@H]2CC3=C4C=CC=CC4=N[C@@H]3CN2

DOS

IR

Vibrations