Geometry & MOs

Info

ID:	135370
PubChem CID:	51861870
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	412.146821
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	2.77
IP(EA), eV:	-8.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)OC)OC)N2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations