Geometry & MOs

Info

ID:	214477
PubChem CID:	85083105
Reduced:	SCl2N4O4C24H28 (1)
Stoich.:	AB2C4D4E24F28 (1)
Weight, g/mol:	539.222035
ΔH_f, kcal/mol:	-135.75
Dipole, Da:	7.98
IP(EA), eV:	-9.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]phenyl]-5-fluoro-9-oxo-4H-acridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC=C(C(=O)NCCCl)S(=O)(=O)C(=CNCC2=CC=CC=C2)C(=O)NCCCl

DOS

IR

Vibrations