Geometry & MOs

Info

ID:	442972
PubChem CID:	135257203
Reduced:	OSCl2N5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	29.0
Dipole, Da:	6.41
IP(EA), eV:	-8.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-5,7,11-triazadispiro[2.0.44.43]dodecane-6,8-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2(CCN(CC2)C3=NC=C(N4C3=CN=C4)SC5=C(C(=CC=C5)Cl)Cl)CO1)N

DOS

IR

Vibrations