Geometry & MOs

Info

ID:	60274
PubChem CID:	26676077
Reduced:	SN2O3F4H16C20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	452.084052
ΔH_f, kcal/mol:	-221.92
Dipole, Da:	3.3
IP(EA), eV:	-9.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[2-[2-(4-chlorophenyl)ethylcarbamothioyl]hydrazinyl]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

C=CCN(CC1=NC=C(O1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations