Geometry & MOs

Info

ID:	314100
PubChem CID:	126620399
Reduced:	SO3N5C11H13 (1)
Stoich.:	AB3C5D11E13 (1)
Weight, g/mol:	311.057592
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	8.74
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethane-1,1-diol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C2=NC(=NN2)SCC(=O)O)NCCO

DOS

IR

Vibrations