Geometry & MOs

Info

ID:	246911
PubChem CID:	103065546
Reduced:	BrSN2O3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	254.072513
ΔH_f, kcal/mol:	-97.26
Dipole, Da:	6.01
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(thiolan-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

Drug info:

PubChemData

Smile

C1CSCC1N2C(=C(C(=O)NC2=O)C3=CC(=CC=C3)Br)O

DOS

IR

Vibrations