Geometry & MOs

Info

ID:	449478
PubChem CID:	135298938
Reduced:	S3H28C34 (1)
Stoich.:	A3B28C34 (1)
Weight, g/mol:	460.069607
ΔH_f, kcal/mol:	121.43
Dipole, Da:	0.76
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-chloro-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinylpyridin-2-yl]-3-methylurea

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=C(C=C(S2)C3=CC=CS3)C4=C(C=CC(=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C(C)C

DOS

IR

Vibrations