Geometry & MOs

Info

ID:	80912
PubChem CID:	49853873
Reduced:	FSN4O4H23C27 (1)
Stoich.:	ABC4D4E23F27 (1)
Weight, g/mol:	512.16489
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	7.87
IP(EA), eV:	-9.01(-1.64)
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 butanoate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations