Geometry & MOs

Info

ID:	173878
PubChem CID:	75692532
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	5.65
IP(EA), eV:	-9.05(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2,6-dimethylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)NC3=CC(=NN3C4CCS(=O)(=O)C4)C

DOS

IR

Vibrations