Geometry & MOs

Info

ID:	200641
PubChem CID:	79420044
Reduced:	ClFNSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	1.11
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N,N-diethylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CCNCC2=CC(=CS2)Cl

DOS

IR

Vibrations