Geometry & MOs

Info

ID:	56699
PubChem CID:	22388006
Reduced:	ClSO3N4C27H29 (1)
Stoich.:	ABC3D4E27F29 (1)
Weight, g/mol:	411.01379
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	4.01
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[(2-chloro-4-phenylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine

Drug info:

PubChemData

Smile

CCCCCS(=O)(=O)NC(=O)C1=NC2=C(C(=C1)C)N=C(N2CC3=C(C=C(C=C3)C4=CC=CC=C4)Cl)C

DOS

IR

Vibrations