Geometry & MOs

Info

ID:	46933
PubChem CID:	10528490
Reduced:	CuN2O3C24H47 (1)
Stoich.:	AB2C3D24E47 (1)
Weight, g/mol:	473.08379
ΔH_f, kcal/mol:	-164.81
Dipole, Da:	13.91
IP(EA), eV:	-8.82(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromo-1-(1,3-dihydroxypropan-2-yloxymethyl)-2,5-diphenylpyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCN(CCCCCCCC)CC(=O)[N-][C@@H](CC(C)C)C(=O)O.[Cu+]

DOS

IR

Vibrations