Geometry & MOs

Info

ID:	219129
PubChem CID:	85090713
Reduced:	Si2O9C27H52 (1)
Stoich.:	A2B9C27D52 (1)
Weight, g/mol:	499.241925
ΔH_f, kcal/mol:	-564.18
Dipole, Da:	4.67
IP(EA), eV:	-9.12(0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]benzo[e][1,3]benzothiazol-1-ium-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C(C2C3C(C(O2)O[Si](C)(C)C(C)(C)C)OC(O3)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations