Geometry & MOs

Info

ID:	218098
PubChem CID:	85088877
Reduced:	S2N3O4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	429.223869
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	10.79
IP(EA), eV:	-8.7(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

trimethyl-[3-[4-[4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)buta-2,3-dienylidene]quinolin-1-yl]propyl]azanium

Drug info:

PubChemData

Smile

CC1=CSC(=S)N1OC(=O)C2C(OC(O2)(C)C)CN3C=C(C4=CC=CC=C43)C#N

DOS

IR

Vibrations