Geometry & MOs

Info

ID:	38269
PubChem CID:	8028603
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	412.085483
ΔH_f, kcal/mol:	-188.91
Dipole, Da:	2.64
IP(EA), eV:	-9.01(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@@H](C)C(=O)NC3CC(NC(C3)(C)C)(C)C

DOS

IR

Vibrations