Geometry & MOs

Info

ID:	79089
PubChem CID:	49746762
Reduced:	SCl2O3N5H13C16 (1)
Stoich.:	AB2C3D5E13F16 (1)
Weight, g/mol:	397.120861
ΔH_f, kcal/mol:	23.74
Dipole, Da:	3.05
IP(EA), eV:	-9.99(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazin-2-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations