Geometry & MOs

Info

ID:	229715
PubChem CID:	87568624
Reduced:	NO5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	450.124943
ΔH_f, kcal/mol:	-148.67
Dipole, Da:	4.14
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formyl 2-[1-[[6-(1,3-benzothiazol-2-yloxy)-1-benzofuran-2-yl]methyl]piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)(/N=C/CC2=C(C=CC(=C2)O)O)O

DOS

IR

Vibrations