Geometry & MOs

Info

ID:

436595

PubChem CID:

135205851

Reduced:

Cl2O3N6H24C28 (1)

Stoich.:

A2B3C6D24E28 (1)

Weight, g/mol:

591.159275

ΔHf, kcal/mol:

11.04

Dipole, Da:

6.3

IP(EA), eV:

 -8.75(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5R)-6'-[6-(difluoromethyl)pyridin-2-yl]-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

CC[C@@H](C(=O)NC1=CC2=C(C=C1)N=C(C=C2)C)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl)OC

DOS

IR

Vibrations