Geometry & MOs

Info

ID:	40305
PubChem CID:	8143904
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	354.029683
ΔH_f, kcal/mol:	26.92
Dipole, Da:	5.21
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-(3H-1,3-benzothiazol-2-ylidenemethyl)-5-[(3-fluorophenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=S)O2)CN3CCCC3

DOS

IR

Vibrations