Geometry & MOs

Info

ID:	132882
PubChem CID:	51439903
Reduced:	SN4O7C23H23 (1)
Stoich.:	AB4C7D23E23 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	25.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001581
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(R)-cyclohexylsulfinyl]-1H-quinoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)/C=C\NC2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC(=NC(=N3)OC)OC)OC

DOS

IR

Vibrations