Geometry & MOs

Info

ID:	79034
PubChem CID:	49746486
Reduced:	SN4O4H18C21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	315.078996
ΔH_f, kcal/mol:	-18.4
Dipole, Da:	5.01
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-yl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations