Geometry & MOs

Info

ID:	282090
PubChem CID:	103915673
Reduced:	N2O2F3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-222.05
Dipole, Da:	5.79
IP(EA), eV:	-10.12(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N(CCO)CC(F)(F)F

DOS

IR

Vibrations