Geometry & MOs

Info

ID:	222776
PubChem CID:	85332445
Reduced:	O2N4C33H40 (1)
Stoich.:	A2B4C33D40 (1)
Weight, g/mol:	524.093949
ΔH_f, kcal/mol:	-20.88
Dipole, Da:	5.1
IP(EA), eV:	-8.21(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-N,N-diethyl-4-methylchromen-7-amine;perchlorate

Drug info:

PubChemData

Smile

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=NC=C(C=C4)OC)NCCC5=CC=CC=C5

DOS

IR

Vibrations