Geometry & MOs

Info

ID:

436592

PubChem CID:

135205771

Reduced:

ClFN4O6C30H30 (1)

Stoich.:

ABC4D6E30F30 (1)

Weight, g/mol:

550.259148

ΔHf, kcal/mol:

-207.51

Dipole, Da:

9.23

IP(EA), eV:

 -9.1(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(5R)-3-[3-cyclopropyl-1-[(4-fluorophenyl)methylamino]-1-oxobutan-2-yl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

COC1=CN(C(=O)C=C1C2=C(C=CC(=C2)Cl)C3=NOCC3)C(C[C@H]4CCCCO4)C(=O)NC5=CC(=C(C=C5)C(=O)N)F

DOS

IR

Vibrations