Geometry & MOs

Info

ID:	38642
PubChem CID:	8137322
Reduced:	NF2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	361.112564
ΔH_f, kcal/mol:	-201.29
Dipole, Da:	2.34
IP(EA), eV:	-9.52(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations