Geometry & MOs

Info

ID:	56706
PubChem CID:	22388532
Reduced:	BrClSO3N4H16C21 (1)
Stoich.:	ABCD3E4F16G21 (1)
Weight, g/mol:	538.18054
ΔH_f, kcal/mol:	-21.72
Dipole, Da:	5.21
IP(EA), eV:	-9.67(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-4-(2-phenylethyl)phenyl]methyl]-2-methyl-N-pentylsulfonylimidazo[4,5-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=C(C=C(C=C3)Br)Cl)N=C(C=C2)C(=O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations