Geometry & MOs

Info

ID:	40900
PubChem CID:	8144927
Reduced:	SN3O4C21H30 (1)
Stoich.:	AB3C4D21E30 (1)
Weight, g/mol:	335.14071
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	2.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824479
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)C[NH+]3CCC(CC3)C(=O)OCC

DOS

IR

Vibrations