Geometry & MOs

Info

ID:	223824
PubChem CID:	85335624
Reduced:	S2F3N3O4C27H34 (1)
Stoich.:	A2B3C3D4E27F34 (1)
Weight, g/mol:	588.07323
ΔH_f, kcal/mol:	-312.14
Dipole, Da:	9.71
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-2-phenylbenzo[cd]indol-1-ium-1-yl]butan-1-one;iodide

Drug info:

PubChemData

Smile

CC(C)NC1CCC(C(C1)NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CS(=O)(=O)C3=CC=C(C=C3)SC

DOS

IR

Vibrations