Geometry & MOs

Info

ID:	79103
PubChem CID:	49746804
Reduced:	O2N7H17C20 (1)
Stoich.:	A2B7C17D20 (1)
Weight, g/mol:	359.091292
ΔH_f, kcal/mol:	121.82
Dipole, Da:	6.84
IP(EA), eV:	-9.41(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methyltetrazol-5-yl)sulfanyl-1-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C(CN1C(=O)C2=CC=C(C=C2)CN3C=CN=C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations