Geometry & MOs

Info

ID:	85727
PubChem CID:	49878546
Reduced:	NOSC9H10 (2)
Stoich.:	ABCD9E10 (2)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-34.16
Dipole, Da:	3.01
IP(EA), eV:	-8.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-oxo-1-(4-propylpiperazin-1-yl)propan-2-yl]-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4SC3

DOS

IR

Vibrations