Geometry & MOs

Info

ID:	36836
PubChem CID:	8013525
Reduced:	NO8C21H23 (1)
Stoich.:	AB8C21D23 (1)
Weight, g/mol:	376.038148
ΔH_f, kcal/mol:	-271.97
Dipole, Da:	4.34
IP(EA), eV:	-8.69(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations