Geometry & MOs

Info

ID:	223703
PubChem CID:	85335446
Reduced:	Cl2N2O3H26C27 (1)
Stoich.:	A2B2C3D26E27 (1)
Weight, g/mol:	498.173705
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	3.74
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[3-fluoro-4-[4-[3-(3-hydroxyphenyl)prop-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1C(C(N=C1C2=CC(=CC(=C2)OC)OC)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations