Geometry & MOs

Info

ID:	79109
PubChem CID:	49746811
Reduced:	SO2N7H13C17 (1)
Stoich.:	AB2C7D13E17 (1)
Weight, g/mol:	363.107987
ΔH_f, kcal/mol:	134.78
Dipole, Da:	4.8
IP(EA), eV:	-9.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=NNC(=C2)C3=CC=CS3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations