Geometry & MOs

Info

ID:	209062
PubChem CID:	80618969
Reduced:	SO2N5C13H23 (1)
Stoich.:	AB2C5D13E23 (1)
Weight, g/mol:	242.039295
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	4.91
IP(EA), eV:	-8.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-5-(3,4,5-trimethylpyrazol-1-yl)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)C(=O)NCCCN2CCOCC2

DOS

IR

Vibrations