Geometry & MOs

Info

ID:	212708
PubChem CID:	81061574
Reduced:	BrSN3O3C11H18 (1)
Stoich.:	ABC3D3E11F18 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	4.88
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=C(N=CC(=C1)Br)N

DOS

IR

Vibrations