Geometry & MOs

Info

ID:	56698
PubChem CID:	22387998
Reduced:	SCl2O2H12C17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	524.16489
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	3.86
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-phenylphenyl)methyl]-2,7-dimethyl-N-pentylsulfonylimidazo[4,5-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)C=CC(=C2)C(=O)O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations