Geometry & MOs

Info

ID:	37172
PubChem CID:	8017876
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	352.038148
ΔH_f, kcal/mol:	-144.49
Dipole, Da:	1.18
IP(EA), eV:	-9.97(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)COC(=O)/C=C/C1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations