Geometry & MOs

Info

ID:	139841
PubChem CID:	52606777
Reduced:	ClFO2N4C24H28 (1)
Stoich.:	ABC2D4E24F28 (1)
Weight, g/mol:	394.145948
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	3.86
IP(EA), eV:	-9.03(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)[C@@H](CNC(=O)CCCC2=NC3=CC=CC=C3N2)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations