Geometry & MOs

Info

ID:	263639
PubChem CID:	103385263
Reduced:	OSN2H5C6 (2)
Stoich.:	ABC2D5E6 (2)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	7.62
Dipole, Da:	14.6
IP(EA), eV:	-8.71(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylphenyl]acetic acid

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=CN=C2SC3=NC(=CS3)CC(=O)O

DOS

IR

Vibrations