Geometry & MOs

Info

ID:	20864
PubChem CID:	586193
Reduced:	SN3O3H9C10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	251.036462
ΔH_f, kcal/mol:	-55.02
Dipole, Da:	0.52
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dihydroxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)C(=O)CSC2=NC=NN2

DOS

IR

Vibrations