Geometry & MOs

Info

ID:	160459
PubChem CID:	57309807
Reduced:	SO6C26H38 (1)
Stoich.:	AB6C26D38 (1)
Weight, g/mol:	272.015016
ΔH_f, kcal/mol:	-263.59
Dipole, Da:	7.71
IP(EA), eV:	-9.37(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyl-5-nitroimidazol-2-yl)-1-(thiatriazol-5-yl)ethanethiol

Drug info:

PubChemData

Smile

CCCC(CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCCCC(CCC)O)O

DOS

IR

Vibrations