Geometry & MOs

Info

ID:	438001
PubChem CID:	135227454
Reduced:	F3O3N4C27H27 (1)
Stoich.:	A3B3C4D27E27 (1)
Weight, g/mol:	313.059506
ΔH_f, kcal/mol:	-224.49
Dipole, Da:	2.42
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[3-methyl-6-(sulfanylmethyl)-1,3-benzothiazol-2-ylidene]-1-phenylethanone

Drug info:

PubChemData

Smile

CC1=C(CC(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)(CCC3=CNC4=CC=CC=C43)C(=O)N)C(=O)N(C)C

DOS

IR

Vibrations