Geometry & MOs

Info

ID:	136026
PubChem CID:	51968142
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	400.146821
ΔH_f, kcal/mol:	-97.78
Dipole, Da:	5.18
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-[(4-fluorophenyl)sulfonylamino]butanoate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

DOS

IR

Vibrations