Geometry & MOs

Info

ID:	223975
PubChem CID:	85336505
Reduced:	N7C24H29 (1)
Stoich.:	A7B24C29 (1)
Weight, g/mol:	411.107519
ΔH_f, kcal/mol:	102.68
Dipole, Da:	4.08
IP(EA), eV:	-8.3(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one;hydroxide

Drug info:

PubChemData

Smile

CC1CC(NN1)NC2=NC(=NC3=C2CN(CC3)CC4=CC=CC=C4)NC5=CC=CC=C5

DOS

IR

Vibrations