Geometry & MOs

Info

ID:	37492
PubChem CID:	8021567
Reduced:	Cl2N2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	365.058549
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	2.82
IP(EA), eV:	-9.58(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)[C@@H](C)OC(=O)C1=CC(=C(N=C1)Cl)Cl)C2=CC=CC=C2

DOS

IR

Vibrations