Geometry & MOs

Info

ID:	328843
PubChem CID:	126728350
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	494.190023
ΔH_f, kcal/mol:	-36.6
Dipole, Da:	3.4
IP(EA), eV:	-9.21(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[[(2R,5R)-5-[(6-fluoroquinolin-2-yl)methylamino]heptan-2-yl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)/C(=C(/C=O)\NC)/C(=O)C

DOS

IR

Vibrations