Geometry & MOs

Info

ID:	37515
PubChem CID:	8021749
Reduced:	NCl2O4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	366.053798
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	4.33
IP(EA), eV:	-8.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1COC(=O)C2=CC(=C(N=C2)Cl)Cl)OC)OC

DOS

IR

Vibrations