Geometry & MOs

Info

ID:	37485
PubChem CID:	8021522
Reduced:	NCl2O5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	414.053798
ΔH_f, kcal/mol:	-140.33
Dipole, Da:	4.17
IP(EA), eV:	-8.82(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)OC

DOS

IR

Vibrations