Geometry & MOs

Info

ID:	351622
PubChem CID:	127280514
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-23.85
Dipole, Da:	7.29
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations