Geometry & MOs

Info

ID:	127447
PubChem CID:	51002557
Reduced:	SF2O3N4H18C21 (1)
Stoich.:	AB2C3D4E18F21 (1)
Weight, g/mol:	445.188923
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	9.23
IP(EA), eV:	-9.35(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[2-oxo-2-(4-phenylphenyl)ethoxy]phenyl]morpholin-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=C(C(=C(C=C3)C#N)OC)F)C

DOS

IR

Vibrations