Geometry & MOs

Info

ID:	80913
PubChem CID:	49853878
Reduced:	ClSO3N4C26H29 (1)
Stoich.:	ABC3D4E26F29 (1)
Weight, g/mol:	540.19619
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	3.59
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-2-oxo-3H-indol-1-yl]methyl hexanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCN1C(=O)CC2=CC(=C(C=C21)Cl)CCN3CCN(CC3)C4=NSC5=CC=CC=C54

DOS

IR

Vibrations