Geometry & MOs

Info

ID:	231192
PubChem CID:	87572919
Reduced:	SN3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	496.199171
ΔH_f, kcal/mol:	105.11
Dipole, Da:	2.59
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylphenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C\2=CC=CN/C2=C/3\C(=S)C=CC=N3

DOS

IR

Vibrations