Geometry & MOs

Info

ID:

436524

PubChem CID:

135204898

Reduced:

ClO3N5C20H22 (1)

Stoich.:

AB3C5D20E22 (1)

Weight, g/mol:

583.173034

ΔHf, kcal/mol:

-40.56

Dipole, Da:

6.95

IP(EA), eV:

 -8.82(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5R)-3-[2-[(4-fluorophenyl)methyl-(1,1,1-trifluoropropan-2-yl)amino]-2-oxoethyl]-2',4-dioxospiro[1,3-oxazolidine-5,1'-3H-indene]-5'-yl]benzamide

Drug info:

PubChemData

Smile

CN(C1CCN(C1)C2=NN(C3=NC=CC(=C32)Cl)CC4=CC=C(C=C4)OC)C(=O)O

DOS

IR

Vibrations