Geometry & MOs

Info

ID:	356650
PubChem CID:	127292069
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	3.25
IP(EA), eV:	-8.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCC(=O)N1CCSC2=CC=CC=C21)N3CCCCC3

DOS

IR

Vibrations