Geometry & MOs

Info

ID:

313044

PubChem CID:

126610914

Reduced:

O2N5H27C28 (1)

Stoich.:

A2B5C27D28 (1)

Weight, g/mol:

497.206304

ΔHf, kcal/mol:

55.08

Dipole, Da:

5.81

IP(EA), eV:

 -9.18(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3aS,6aS)-5-[2-(2-phenylphenoxy)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-(2H-benzotriazol-5-yloxy)ethanone

Drug info:

PubChemData

Smile

C1[C@H]2CN(C[C@@H]2CN1C(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C5=CC6=NNN=C6C=C5

DOS

IR

Vibrations