Geometry & MOs

Info

ID:	121670
PubChem CID:	50776322
Reduced:	SO3N4C24H40 (1)
Stoich.:	AB3C4D24E40 (1)
Weight, g/mol:	484.185903
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	6.19
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-(4-methylphenyl)-6-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCN(CCC(=O)N2CCNCC2)S(=O)(=O)C3=C(C=C(C=C3)C)C)C

DOS

IR

Vibrations