Geometry & MOs

Info

ID:

436575

PubChem CID:

135205585

Reduced:

BrClOH6C9 (1)

Stoich.:

ABCD6E9 (1)

Weight, g/mol:

586.183933

ΔHf, kcal/mol:

24.16

Dipole, Da:

2.13

IP(EA), eV:

-9.58(-1.0)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4'-dioxospiro[1,3-oxazolidine-5,1'-3,3a-dihydro-2H-indene]-5'-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)C#CCO

DOS

IR

Vibrations