Geometry & MOs

Info

ID:	335494
PubChem CID:	127254356
Reduced:	ON8C15H20 (1)
Stoich.:	AB8C15D20 (1)
Weight, g/mol:	584.089169
ΔH_f, kcal/mol:	87.28
Dipole, Da:	12.76
IP(EA), eV:	-9.67(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-[(E)-2-amino-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate;azane

Drug info:

PubChemData

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CC[C@H](C)[C@@H](C(=O)NCCC1=NN=C2N1C=CC=C2)N3C=NN=N3

DOS

IR

Vibrations