Geometry & MOs

Info

ID:	38641
PubChem CID:	8137320
Reduced:	NF2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	361.112564
ΔH_f, kcal/mol:	-165.74
Dipole, Da:	4.99
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations