Geometry & MOs

Info

ID:	31307
PubChem CID:	855555
Reduced:	OSN4C11H18 (1)
Stoich.:	ABC4D11E18 (1)
Weight, g/mol:	293.083413
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	4.91
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)NC2CCCCC2

DOS

IR

Vibrations