Geometry & MOs

Info

ID:	171817
PubChem CID:	75429287
Reduced:	ClNO5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	318.98555
ΔH_f, kcal/mol:	-216.56
Dipole, Da:	8.57
IP(EA), eV:	-9.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-methylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(C(=CC(=C2)CC(=O)NC3CCC(CC3)C(=O)O)Cl)OC1

DOS

IR

Vibrations