Geometry & MOs

Info

ID:	350295
PubChem CID:	127277373
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	397.076613
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	3.54
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-5-oxo-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations