Geometry & MOs

Info

ID:

83925

PubChem CID:

49862584

Reduced:

FO2N5C26H32 (1)

Stoich.:

AB2C5D26E32 (1)

Weight, g/mol:

411.207053

ΔHf, kcal/mol:

-83.64

Dipole, Da:

3.07

IP(EA), eV:

 -9.17(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-3-[(3aR,6aS)-5-(pyrazine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N[C@@H](CCN2C[C@@H]3CN(C[C@@H]3C2)C(=O)C4=CN=CN=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations