Geometry & MOs

Info

ID:	78888
PubChem CID:	49742645
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	424.149518
ΔH_f, kcal/mol:	-196.51
Dipole, Da:	4.52
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]acetamide

Drug info:

PubChemData

Smile

COCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations