Geometry & MOs

Info

ID:	231213
PubChem CID:	87573010
Reduced:	ClO3N9C27H34 (1)
Stoich.:	AB3C9D27E34 (1)
Weight, g/mol:	286.045723
ΔH_f, kcal/mol:	-41.38
Dipole, Da:	11.64
IP(EA), eV:	-9.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(Z)-2-chloro-2-phenylethenyl]-3-methyl-1,3-benzothiazol-3-ium

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NN3C2=NC=C3C(=O)NC4=CC(=NC=C4)Cl)NC5CCC(CC5)NC(=O)NC6CCOCC6

DOS

IR

Vibrations