Geometry & MOs

Info

ID:	307331
PubChem CID:	125299604
Reduced:	BrO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	407.093977
ΔH_f, kcal/mol:	48.8
Dipole, Da:	3.93
IP(EA), eV:	-8.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-(4-methoxyanilino)-5-[[(3S)-6-methoxy-2-oxo-3H-quinolin-3-yl]methylidene]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(N=N1)OC(=C([C@@H]2C3=C(C(=CC=C3)OC)OCC4=CC=C(C=C4)Br)C#N)N

DOS

IR

Vibrations