Geometry & MOs

Info

ID:	20633
PubChem CID:	584936
Reduced:	SO2N3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	4.4
Dipole, Da:	5.62
IP(EA), eV:	-8.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methanone

Drug info:

PubChemData

Smile

CN1C=NN(C1=S)C(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations