Geometry & MOs

Info

ID:	39301
PubChem CID:	8140127
Reduced:	F2N2O3C19H23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-173.46
Dipole, Da:	8.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.117698
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations