Geometry & MOs

Info

ID:	139842
PubChem CID:	52606778
Reduced:	ClFN2O3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	394.145948
ΔH_f, kcal/mol:	-138.0
Dipole, Da:	4.54
IP(EA), eV:	-8.58(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-5-ethylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(=O)NC[C@@H](C2=C(C=CC=C2Cl)F)N3CCO[C@@H](C3)C

DOS

IR

Vibrations