Geometry & MOs

Info

ID:	401713
PubChem CID:	135052212
Reduced:	NSbCl9H9C14 (1)
Stoich.:	ABC9D9E14 (1)
Weight, g/mol:	285.073145
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	20.67
IP(EA), eV:	-10.76(-2.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-[(2,4-dimethylpyridin-1-ium-1-yl)carbamothioylsulfanyl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=[N+]=C(C2=CC=CC=C2Cl)Cl)Cl.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl

DOS

IR

Vibrations