Geometry & MOs

Info

ID:	133583
PubChem CID:	51557770
Reduced:	ClN2S3O4C17H20 (1)
Stoich.:	AB2C3D4E17F20 (1)
Weight, g/mol:	239.00918
ΔH_f, kcal/mol:	-65.92
Dipole, Da:	7.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761996
Charge, e:	2

Chem-info

IUPAC name:

2-[[(5R)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-3-ium-2-yl]amino]ethylazanium

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N-]S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations