Geometry & MOs

Info

ID:	63915
PubChem CID:	26759468
Reduced:	ClN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	402.098249
ΔH_f, kcal/mol:	-143.29
Dipole, Da:	8.25
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations