Geometry & MOs

Info

ID:

436552

PubChem CID:

135205293

Reduced:

FO3N6C39H41 (1)

Stoich.:

AB3C6D39E41 (1)

Weight, g/mol:

534.264234

ΔHf, kcal/mol:

-35.53

Dipole, Da:

3.44

IP(EA), eV:

 -8.78(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[(1-aminocyclopropyl)methylamino]-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(1S)-1-cyclopropylethyl]-N-[1-(4-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=C(C=C(C=C2)C3=C4C(=NN(C4=NC=C3)CC5=CC=C(C=C5)OC)N[C@@H]6CCN(C6)C(=O)C=C)F

DOS

IR

Vibrations