Geometry & MOs

Info

ID:	149044
PubChem CID:	53788715
Reduced:	ClSN3O3H6C7 (1)
Stoich.:	ABC3D3E6F7 (1)
Weight, g/mol:	253.123541
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	4.44
IP(EA), eV:	-10.78(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[amino-(cyanoamino)methylidene]-methyl-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]azanium

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=C(C(=N1)Cl)OCC#N

DOS

IR

Vibrations