Geometry & MOs

Info

ID:	200512
PubChem CID:	79403264
Reduced:	FNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-162.09
Dipole, Da:	2.92
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)CCSC2=CC=C(C=C2)F)O)O

DOS

IR

Vibrations