Geometry & MOs

Info

ID:	40613
PubChem CID:	8144419
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	338.244367
ΔH_f, kcal/mol:	-49.23
Dipole, Da:	5.67
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(2-methylbutan-2-yl)-3-(morpholin-4-ium-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations