Geometry & MOs

Info

ID:	156920
PubChem CID:	56394869
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	440.105146
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	4.58
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC=C2N3CCOC3=O)OC

DOS

IR

Vibrations