Geometry & MOs

Info

ID:	365977
PubChem CID:	127319267
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	5.54
IP(EA), eV:	-9.43(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations