Geometry & MOs

Info

ID:	227711
PubChem CID:	87562280
Reduced:	ClSO3N5H12C20 (1)
Stoich.:	ABC3D5E12F20 (1)
Weight, g/mol:	272.036398
ΔH_f, kcal/mol:	94.47
Dipole, Da:	6.78
IP(EA), eV:	-9.4(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-3-(3-chloro-2-fluorophenyl)-2-(ethylhydrazinylidene)-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1=CC2=NON=C2C(=C1)S(=O)(=O)NC3=C(N=CC(=C3)C4=CC5=C(C=C4)N=CC=C5)Cl

DOS

IR

Vibrations