Geometry & MOs

Info

ID:	435299
PubChem CID:	135188156
Reduced:	ClSN2O2F4H9C15 (1)
Stoich.:	ABC2D2E4F9G15 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-232.11
Dipole, Da:	7.62
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-4-oxo-1,3-diazaspiro[4.5]decan-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)F)NS(=O)(=O)C2=CNC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations