Geometry & MOs

Info

ID:	136683
PubChem CID:	52084720
Reduced:	S2Cl3N3O4H12C17 (1)
Stoich.:	A2B3C3D4E12F17 (1)
Weight, g/mol:	452.977539
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	5.93
IP(EA), eV:	-9.11(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)methylsulfonyl]-1,2,4-thiadiazol-5-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)C2=NSC(=N2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations