Geometry & MOs

Info

ID:	79037
PubChem CID:	49746492
Reduced:	FSO2N5H16C20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	451.131425
ΔH_f, kcal/mol:	54.81
Dipole, Da:	3.16
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=C(C=C2)F)C(=O)N3CC(C3)C4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations