Geometry & MOs

Info

ID:

436557

PubChem CID:

135205304

Reduced:

FO2N6H29C30 (1)

Stoich.:

AB2C6D29E30 (1)

Weight, g/mol:

544.193354

ΔHf, kcal/mol:

15.15

Dipole, Da:

3.16

IP(EA), eV:

 -8.59(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-[(5R)-5'-(methylcarbamoylamino)-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-4'-yl]acetamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CC[C@H](C1)NC2=NNC3=NC=CC(=C32)C4=CC(=C(C=C4)CNC(=O)C5=CC=C(C=C5)C6CC6)F

DOS

IR

Vibrations