Geometry & MOs

Info

ID:	136982
PubChem CID:	52134460
Reduced:	SO2N6C16H24 (1)
Stoich.:	AB2C6D16E24 (1)
Weight, g/mol:	307.183067
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	6.32
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-propyl-5-propylsulfanyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NCC(=O)C)CCN2C(=CC(=N2)C)C

DOS

IR

Vibrations