Geometry & MOs

Info

ID:	46466
PubChem CID:	10524530
Reduced:	NSCl2F2O3H9C15 (1)
Stoich.:	ABC2D2E3F9G15 (1)
Weight, g/mol:	391.98779
ΔH_f, kcal/mol:	-150.31
Dipole, Da:	2.02
IP(EA), eV:	-9.34(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethanethioamide;iodide

Drug info:

PubChemData

Smile

COC(=O)/C(=C/NC1=C(C=C(C=C1)F)F)/C(=O)C2=C(SC(=C2)Cl)Cl

DOS

IR

Vibrations