Geometry & MOs

Info

ID:	137057
PubChem CID:	52145598
Reduced:	OSN6C16H24 (1)
Stoich.:	ABC6D16E24 (1)
Weight, g/mol:	293.094646
ΔH_f, kcal/mol:	24.37
Dipole, Da:	5.66
IP(EA), eV:	-8.69(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1SCC(=O)N2CCCCC2)C3=NN(C=C3)C

DOS

IR

Vibrations