Geometry & MOs

Info

ID:	357237
PubChem CID:	127293741
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-39.83
Dipole, Da:	7.94
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)CCC(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations