Geometry & MOs

Info

ID:	278210
PubChem CID:	103834114
Reduced:	SN2F3O5C10H17 (1)
Stoich.:	AB2C3D5E10F17 (1)
Weight, g/mol:	349.95721
ΔH_f, kcal/mol:	-386.89
Dipole, Da:	5.77
IP(EA), eV:	-9.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(5-bromo-2-nitrophenyl)sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN1S(=O)(=O)NCC(C(F)(F)F)O

DOS

IR

Vibrations