Geometry & MOs

Info

ID:	63319
PubChem CID:	26750596
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-164.91
Dipole, Da:	5.41
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations