Geometry & MOs

Info

ID:	36687
PubChem CID:	8011131
Reduced:	SN5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	141.32
Dipole, Da:	4.07
IP(EA), eV:	-8.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=CC=CC=C2C#N)C3=CN=CC=C3

DOS

IR

Vibrations