Geometry & MOs

Info

ID:	263307
PubChem CID:	103354451
Reduced:	BrSO3N5C10H10 (1)
Stoich.:	ABC3D5E10F10 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	3.48
IP(EA), eV:	-9.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(N=N1)Br)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N

DOS

IR

Vibrations