Geometry & MOs

Info

ID:	141593
PubChem CID:	52899981
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	6.76
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)NC3=NN=C(S3)C4CCC4

DOS

IR

Vibrations