Geometry & MOs

Info

ID:	86225
PubChem CID:	49883132
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	499.93739
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	4.45
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamine;dibromide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations