Geometry & MOs

Info

ID:	307315
PubChem CID:	125299559
Reduced:	SCl2N5O5C17H17 (1)
Stoich.:	AB2C5D5E17F17 (1)
Weight, g/mol:	381.033876
ΔH_f, kcal/mol:	-117.87
Dipole, Da:	4.46
IP(EA), eV:	-9.65(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-(4-chloroanilino)-5-[[(3R)-2-oxo-3H-quinolin-3-yl]methylidene]-1,3-thiazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CS[C@H]2N=C3C(=NC(=NC3=O)N)N2[C@H]4[C@@H]([C@H]([C@H](O4)CO)O)O)Cl)Cl

DOS

IR

Vibrations