Geometry & MOs

Info

ID:	64438
PubChem CID:	29200643
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	19.42
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)SC1=NN=C(N1CC2=CC=CC=C2)C3=CN=CC=C3

DOS

IR

Vibrations