Geometry & MOs

Info

ID:	186876
PubChem CID:	77499864
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	223.046713
ΔH_f, kcal/mol:	21.52
Dipole, Da:	5.44
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorobut-2-enoxy)-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1C2C(CN1CCC3=CC=CC=C3)NNC2NC(=O)CCC4=CC=CS4

DOS

IR

Vibrations