Geometry & MOs

Info

ID:	60541
PubChem CID:	26697159
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	4.94
IP(EA), eV:	-8.62(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)N3CCCCC3)OCC

DOS

IR

Vibrations