Geometry & MOs

Info

ID:	150690
PubChem CID:	53790384
Reduced:	SN2O8H26C27 (1)
Stoich.:	AB2C8D26E27 (1)
Weight, g/mol:	378.096403
ΔH_f, kcal/mol:	-273.39
Dipole, Da:	8.58
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

O-(4-fluorophenyl) 1-methoxy-10-methylacridin-10-ium-9-carbothioate

Drug info:

PubChemData

Smile

COC1=CC(=C2C(=C1)SC3CC4C(C(C3C2=O)O)C(=O)C(C(=O)C4NC(=O)C5=CC=CC=C5)C(=O)N)OC

DOS

IR

Vibrations