Geometry & MOs

Info

ID:	79036
PubChem CID:	49746489
Reduced:	SO3N4H14C16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	409.100874
ΔH_f, kcal/mol:	76.4
Dipole, Da:	2.98
IP(EA), eV:	-9.35(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-2-methylpyrazol-3-yl]-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)N3CC(C3)C4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations