Geometry & MOs

Info

ID:	269970
PubChem CID:	103621385
Reduced:	BrClON3H9C15 (1)
Stoich.:	ABCD3E9F15 (1)
Weight, g/mol:	316.97213
ΔH_f, kcal/mol:	53.35
Dipole, Da:	1.55
IP(EA), eV:	-9.47(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-bromothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C(=N2)Cl)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations