Geometry & MOs

Info

ID:	175761
PubChem CID:	75944134
Reduced:	ClO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	450.145868
ΔH_f, kcal/mol:	-19.83
Dipole, Da:	5.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.960951
Charge, e:	0

Chem-info

IUPAC name:

9-benzyl-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C1CC2(C[NH+](C1)CC3=CC=CC=C3)C(=O)N(C(=O)N2)CC4=COC(=N4)C5=CC=CC=C5Cl

DOS

IR

Vibrations