Geometry & MOs

Info

ID:	54723
PubChem CID:	17389162
Reduced:	BrClFNSO2H8C12 (1)
Stoich.:	ABCDEF2G8H12 (1)
Weight, g/mol:	488.033062
ΔH_f, kcal/mol:	-76.7
Dipole, Da:	3.4
IP(EA), eV:	-9.57(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-(2-chlorophenyl)-4-[[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)Br)F)Cl

DOS

IR

Vibrations