Geometry & MOs

Info

ID:	47026
PubChem CID:	10529012
Reduced:	O3C15H16 (2)
Stoich.:	A3B15C16 (2)
Weight, g/mol:	488.176979
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	3.47
IP(EA), eV:	-9.27(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[cyclohexyl-[5-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]methoxy]iminopropanoic acid

Drug info:

PubChemData

Smile

COC(=O)C[C@H]1[C@H]2[C@H](O2)[C@@H]([C@H]([C@@H]1OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations