Geometry & MOs

Info

ID:	190467
PubChem CID:	78008979
Reduced:	Br2N2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	73.47
Dipole, Da:	5.5
IP(EA), eV:	-8.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(5-thiophen-3-ylpyridin-3-yl)oxymethyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CNC1=CC=C(C=C1)Br)C2=CNC3=C2C=C(C=C3)Br

DOS

IR

Vibrations