Geometry & MOs

Info

ID:	438083
PubChem CID:	135227654
Reduced:	SN2C11H26 (1)
Stoich.:	AB2C11D26 (1)
Weight, g/mol:	253.003151
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	3.02
IP(EA), eV:	-8.5(0.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-carboxy-6-(1,2,4-triazol-1-yl)pyridine-3-sulfinate

Drug info:

PubChemData

Smile

CCCCCNC(C)(C)SC(C)(C)N

DOS

IR

Vibrations