Geometry & MOs

Info

ID:	178672
PubChem CID:	76366892
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-73.11
Dipole, Da:	2.02
IP(EA), eV:	-8.67(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-2,5-dioxo-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-6,8-dihydro-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CCN(CC2)C(=O)C3C=C4C(=NC3=O)CC(CC4=O)(C)C

DOS

IR

Vibrations