Geometry & MOs

Info

ID:	79094
PubChem CID:	49746774
Reduced:	SN5O5H15C17 (1)
Stoich.:	AB5C5D15E17 (1)
Weight, g/mol:	383.105211
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	3.47
IP(EA), eV:	-10.28(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations