Geometry & MOs

Info

ID:

427162

PubChem CID:

135155778

Reduced:

O2N4F5H21C27 (1)

Stoich.:

A2B4C5D21E27 (1)

Weight, g/mol:

502.188402

ΔHf, kcal/mol:

-217.12

Dipole, Da:

5.61

IP(EA), eV:

 -9.62(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-[[4-chloro-3-(5,7-dihydropyrrolo[3,4-b]pyrazine-6-carbonyl)phenyl]methyl]-5-(2-methylpropyl)-5-phenylimidazol-4-one

Drug info:

PubChemData

Smile

C1CN(C1)C(=O)C2=C(C=CC(=C2)CN3C(=O)C(N=C3N)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)C(F)(F)F

DOS

IR

Vibrations