Geometry & MOs

Info

ID:

427157

PubChem CID:

135155766

Reduced:

O2F7N9H36C38 (1)

Stoich.:

A2B7C9D36E38 (1)

Weight, g/mol:

506.186652

ΔHf, kcal/mol:

-296.66

Dipole, Da:

5.57

IP(EA), eV:

 -8.46(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-[[3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)-4-fluorophenyl]methyl]-5,5-diphenylimidazol-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC(=C2)C3=NC=C4CN(CC4=N3)C(=O)C5=C(C=CC(=C5)CN6C(=O)[C@@](N=C6N)(CCCC(F)(F)F)C7=CC=C(C=C7)F)C(F)(F)F

DOS

IR

Vibrations