Geometry & MOs

Info

ID:	243025
PubChem CID:	99215151
Reduced:	BrFN2O2C21H22 (1)
Stoich.:	ABC2D2E21F22 (1)
Weight, g/mol:	450.12665
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	3.34
IP(EA), eV:	-8.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CNC(=O)CCC(=O)C2=CC=C(C=C2)F)C3=CC(=CC=C3)Br

DOS

IR

Vibrations