Geometry & MOs

Info

ID:	218896
PubChem CID:	85090128
Reduced:	S2N3O7C23H29 (1)
Stoich.:	A2B3C7D23E29 (1)
Weight, g/mol:	523.192963
ΔH_f, kcal/mol:	-181.91
Dipole, Da:	6.27
IP(EA), eV:	-8.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-4H-acridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=COC(=C1)C(CC)NC2=C(C(=O)C2=O)NC3=CSC(C3=O)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations