Geometry & MOs

Info

ID:	190632
PubChem CID:	78034832
Reduced:	SO2N3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	553.387957
ΔH_f, kcal/mol:	26.95
Dipole, Da:	7.66
IP(EA), eV:	-8.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[8-tert-butyl-2-(3-ethoxypiperidin-1-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NN=CC2=CC3=C(C=C2)NC4=CC=CC=C43

DOS

IR

Vibrations