Geometry & MOs

Info

ID:	155363
PubChem CID:	56352963
Reduced:	SO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	402.237939
ΔH_f, kcal/mol:	-67.29
Dipole, Da:	3.93
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7,9-trimethyl-3-[2-oxo-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2OC)C(=O)N3CCC(CC3)N4C=NC=N4

DOS

IR

Vibrations