Geometry & MOs

Info

ID:	307332
PubChem CID:	125299605
Reduced:	SN3O4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	407.093977
ΔH_f, kcal/mol:	-26.32
Dipole, Da:	4.2
IP(EA), eV:	-8.99(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC\2=NC(=O)S/C2=C\[C@@H]3C=C4C=C(C=CC4=NC3=O)OC

DOS

IR

Vibrations