Geometry & MOs

Info

ID:

313045

PubChem CID:

126610915

Reduced:

O4N5H27C28 (1)

Stoich.:

A4B5C27D28 (1)

Weight, g/mol:

504.209673

ΔHf, kcal/mol:

-7.34

Dipole, Da:

2.9

IP(EA), eV:

 -9.22(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,6aS)-5-[1-methyl-5-(trifluoromethoxy)-3a,7a-dihydroindole-2-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[(5R)-4,5,6,7-tetrahydro-2H-benzotriazol-5-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]2CN(C[C@@H]2CN1C(=O)COC3=CC4=NNN=C4C=C3)C(=O)COC5=CC=CC=C5C6=CC=CC=C6

DOS

IR

Vibrations