Geometry & MOs

Info

ID:

436490

PubChem CID:

135204373

Reduced:

FON8C24H29 (1)

Stoich.:

ABC8D24E29 (1)

Weight, g/mol:

590.215233

ΔHf, kcal/mol:

51.79

Dipole, Da:

4.35

IP(EA), eV:

 -8.47(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-oxopropyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylazetidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CNCC2=C(C=C(C=C2)C3=C4C(=NC=C3)NN=C4N[C@@H]5CCNC5)F

DOS

IR

Vibrations