Geometry & MOs

Info

ID:

427136

PubChem CID:

135155674

Reduced:

FO2N3H13C14 (2)

Stoich.:

AB2C3D13E14 (2)

Weight, g/mol:

575.225658

ΔHf, kcal/mol:

-146.78

Dipole, Da:

6.63

IP(EA), eV:

 -9.6(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[5-[[(4S)-2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-(trifluoromethyl)benzoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)N1CCN(CC1)C(=O)C2=CC(=NC=C2)CN3C(=O)C(N=C3N)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations