Geometry & MOs

Info

ID:	60114
PubChem CID:	26675699
Reduced:	FO2N7C17H20 (1)
Stoich.:	AB2C7D17E20 (1)
Weight, g/mol:	397.143784
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	4.36
IP(EA), eV:	-9.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-butyl-5-(4-fluorophenyl)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC[C@]1(C(=O)N(C(=O)N1)CC2=NC(=NC(=N2)N)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations