Geometry & MOs

Info

ID:	141009
PubChem CID:	52800100
Reduced:	SN2O2H18C22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	3.44
Dipole, Da:	3.84
IP(EA), eV:	-8.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)/C=C/2\CCC3=C(C2=O)SC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations