Geometry & MOs

Info

ID:	32282
PubChem CID:	6436308
Reduced:	OC5H9 (4)
Stoich.:	AB5C9 (4)
Weight, g/mol:	465.145916
ΔH_f, kcal/mol:	-228.66
Dipole, Da:	3.53
IP(EA), eV:	-10.77(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2Z)-1-methyl-2-[(2E)-2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole

Drug info:

PubChemData

Smile

CC(C)CCCCCOC(=O)/C=C/C(=O)OCCCCCC(C)C

DOS

IR

Vibrations