Geometry & MOs

Info

ID:	206811
PubChem CID:	80304088
Reduced:	ClNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	364.99976
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	1.23
IP(EA), eV:	-9.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)C1(CCC1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations