Geometry & MOs

Info

ID:	79099
PubChem CID:	49746785
Reduced:	O4N5C21H21 (1)
Stoich.:	A4B5C21D21 (1)
Weight, g/mol:	410.061966
ΔH_f, kcal/mol:	-6.75
Dipole, Da:	4.57
IP(EA), eV:	-8.75(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5)C

DOS

IR

Vibrations