Geometry & MOs

Info

ID:

436533

PubChem CID:

135205005

Reduced:

O3N4C17H18 (1)

Stoich.:

A3B4C17D18 (1)

Weight, g/mol:

563.240719

ΔHf, kcal/mol:

-65.91

Dipole, Da:

5.39

IP(EA), eV:

 -9.14(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)O)C(=O)N2CCC3=C(C=CC=C32)N4C=CN=C4

DOS

IR

Vibrations