Geometry & MOs

Info

ID:	138979
PubChem CID:	52453775
Reduced:	N3O3C21H22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	378.170333
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	25.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.103533
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4OC3=O

DOS

IR

Vibrations