Geometry & MOs

Info

ID:	37252
PubChem CID:	8018771
Reduced:	FN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	2.93
IP(EA), eV:	-9.81(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methoxyacetate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations