Geometry & MOs

Info

ID:	30203
PubChem CID:	840703
Reduced:	ClON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	234.041117
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	1.46
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-2-methyl-[1]benzothiolo[3,2-d][1,3]thiazol-1-ium

Drug info:

PubChemData

Smile

CCC(=NNC(=O)C1CCCCC1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations