Geometry & MOs

Info

ID:

233590

PubChem CID:

91145543

Reduced:

BrClN3O4C32H41 (1)

Stoich.:

ABC3D4E32F41 (1)

Weight, g/mol:

575.298193

ΔHf, kcal/mol:

-176.3

Dipole, Da:

4.61

IP(EA), eV:

 -8.41(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-tert-butyl-2-[(2S)-3-methyl-2-[(2S)-1-[(2S)-3-methyl-2-(pyridine-3-carbonylamino)butanoyl]-2,3-dihydroindol-2-yl]butanoyl]-1,3,4-oxadiazol-3-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Br)CC(=O)N2CCCC(C2)C3=CC4=C(N3CCCOC)C=CC=C4Cl

DOS

IR

Vibrations