Geometry & MOs

Info

ID:	328839
PubChem CID:	126728345
Reduced:	O4N6C13H16 (1)
Stoich.:	A4B6C13D16 (1)
Weight, g/mol:	511.151196
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	4.8
IP(EA), eV:	-8.95(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]amino]-1,2-dihydropyrimidin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=NC2=C(N=C(N=C2N1[C@H]3C(C([C@H](O3)CO)O)O)C#CCN)N

DOS

IR

Vibrations