Geometry & MOs

Info

ID:	37218
PubChem CID:	8018398
Reduced:	NF2O6H17C20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	370.131742
ΔH_f, kcal/mol:	-290.79
Dipole, Da:	2.02
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations