Geometry & MOs

Info

ID:	146572
PubChem CID:	53706635
Reduced:	BrClOF3H17C22 (1)
Stoich.:	ABCD3E17F22 (1)
Weight, g/mol:	474.28509
ΔH_f, kcal/mol:	-146.58
Dipole, Da:	2.1
IP(EA), eV:	-9.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[8-[3-(4-sulfanylanilino)propylamino]octylamino]propylamino]benzenethiol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)CCC(C3=CC=C(C=C3)Br)C(F)(F)F

DOS

IR

Vibrations