Geometry & MOs

Info

ID:	44415
PubChem CID:	10503433
Reduced:	ClN3O3H18C25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	444.00947
ΔH_f, kcal/mol:	22.31
Dipole, Da:	3.48
IP(EA), eV:	-8.81(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5S)-3-[3-fluoro-4-(4-iodopyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N1C(=CC(=N1)C2=CC=C(C=C2)N=CC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations