Geometry & MOs

Info

ID:	228487
PubChem CID:	87564825
Reduced:	SN2F3O4C19H19 (1)
Stoich.:	AB2C3D4E19F19 (1)
Weight, g/mol:	298.96545
ΔH_f, kcal/mol:	-280.32
Dipole, Da:	6.56
IP(EA), eV:	-9.9(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-iodoacetyl) (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations