Geometry & MOs

Info

ID:	284938
PubChem CID:	104084550
Reduced:	ClNSC5H5 (2)
Stoich.:	ABCD5E5 (2)
Weight, g/mol:	257.050194
ΔH_f, kcal/mol:	43.38
Dipole, Da:	2.89
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(chloromethyl)-1-methylimidazol-2-yl]sulfanylmethyl]-1-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=CN=C1SCC2=CC=C(S2)Cl)CCl

DOS

IR

Vibrations