Geometry & MOs

Info

ID:	81084
PubChem CID:	49854330
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	543.213996
ΔH_f, kcal/mol:	35.92
Dipole, Da:	8.12
IP(EA), eV:	-9.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(2E)-2-[(2E,4E)-5-[3-(hydroxymethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-thiophen-2-ylindol-1-yl]pentan-1-ol

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(N1)C3=NC4=C(C=CC=C4N3)C(=O)N

DOS

IR

Vibrations