Geometry & MOs

Info

ID:	38559
PubChem CID:	8137068
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	355.116821
ΔH_f, kcal/mol:	-178.75
Dipole, Da:	7.89
IP(EA), eV:	-9.43(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(=O)NC3CC3)OC

DOS

IR

Vibrations