Geometry & MOs

Info

ID:

436520

PubChem CID:

135204798

Reduced:

OSN5H15C17 (1)

Stoich.:

ABC5D15E17 (1)

Weight, g/mol:

551.167948

ΔHf, kcal/mol:

89.32

Dipole, Da:

6.82

IP(EA), eV:

 -9.41(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-2-[(5R)-6'-[(2-methoxyacetyl)amino]-2',4-dioxospiro[1,3-oxazolidine-5,3'-1H-indene]-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C2=CC=CC(=C2)C#N)C(=O)C3CCCN3C#N

DOS

IR

Vibrations