Geometry & MOs

Info

ID:	233522
PubChem CID:	91145240
Reduced:	OF3N6C16H17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	253.030983
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	5.66
IP(EA), eV:	-8.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-benzothiazol-4-yl)-1,2,3-benzoxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)CC2=NC=CN=C2C3=CNNC3=O)C(F)(F)F)CCN

DOS

IR

Vibrations