Geometry & MOs

Info

ID:	79091
PubChem CID:	49746770
Reduced:	BrS2O3N5H10C13 (1)
Stoich.:	AB2C3D5E10F13 (1)
Weight, g/mol:	407.035811
ΔH_f, kcal/mol:	64.66
Dipole, Da:	3.16
IP(EA), eV:	-9.81(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]sulfonylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1C(CN1S(=O)(=O)C2=CC=C(S2)Br)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations