Geometry & MOs

Info

ID:	79123
PubChem CID:	49746909
Reduced:	O4N5H19C20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	329.069494
ΔH_f, kcal/mol:	22.21
Dipole, Da:	2.28
IP(EA), eV:	-8.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylthiadiazol-5-yl)-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4)OC

DOS

IR

Vibrations