Geometry & MOs

Info

ID:	135623
PubChem CID:	51904402
Reduced:	N2O6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	395.116901
ΔH_f, kcal/mol:	-180.91
Dipole, Da:	7.99
IP(EA), eV:	-8.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations