Geometry & MOs

Info

ID:	72632
PubChem CID:	48416380
Reduced:	BrO3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	398.05897
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	2.13
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CNC(=O)C2=CC(=CC=C2)Br)N3CCNC3=O

DOS

IR

Vibrations