Geometry & MOs

Info

ID:	150257
PubChem CID:	53789945
Reduced:	N2S2O3C4H6 (1)
Stoich.:	A2B2C3D4E6 (1)
Weight, g/mol:	553.106819
ΔH_f, kcal/mol:	-67.36
Dipole, Da:	5.31
IP(EA), eV:	-9.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[C-butan-2-yl-N-(3-chloroprop-2-enoxy)carbonimidoyl]-5-[2-[2-chloro-4-(trifluoromethyl)phenyl]sulfinylpropyl]cyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=CSN=N1

DOS

IR

Vibrations