Geometry & MOs

Info

ID:	323961
PubChem CID:	126676675
Reduced:	BrClPN3O10C22H28 (1)
Stoich.:	ABCD3E10F22G28 (1)
Weight, g/mol:	334.03169
ΔH_f, kcal/mol:	-470.66
Dipole, Da:	8.45
IP(EA), eV:	-9.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)NP(=O)(OCC1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations