Geometry & MOs

Info

ID:	37261
PubChem CID:	8018934
Reduced:	NCl2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	342.07712
ΔH_f, kcal/mol:	-171.68
Dipole, Da:	5.59
IP(EA), eV:	-9.54(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)COC(=O)COC

DOS

IR

Vibrations