Geometry & MOs

Info

ID:

313043

PubChem CID:

126610913

Reduced:

OF2N2H10C12 (2)

Stoich.:

AB2C2D10E12 (2)

Weight, g/mol:

465.216475

ΔHf, kcal/mol:

-169.46

Dipole, Da:

3.53

IP(EA), eV:

 -9.56(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3aS,6aS)-5-(2H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-(4-phenylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1C(=O)/C=C/C3=CC(=CC(=C3)F)C(F)(F)F)C(=O)C4=CC5=NNN=C5C=C4

DOS

IR

Vibrations