Geometry & MOs

Info

ID:	290899
PubChem CID:	111629581
Reduced:	NSO2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-236.47
Dipole, Da:	2.14
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-5-(hydroxymethyl)anilino]-1-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CSCC1(CNCC2=CC(=CC=C2)OC(F)(F)F)O

DOS

IR

Vibrations