Geometry & MOs

Info

ID:	139924
PubChem CID:	52618428
Reduced:	Cl2N3O4H9C15 (1)
Stoich.:	A2B3C4D9E15 (1)
Weight, g/mol:	465.128448
ΔH_f, kcal/mol:	23.28
Dipole, Da:	4.67
IP(EA), eV:	-9.96(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-3-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)COC3=CC(=CC(=C3)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations