Geometry & MOs

Info

ID:	297740
PubChem CID:	117628438
Reduced:	SF3O3N5C22H22 (1)
Stoich.:	AB3C3D5E22F22 (1)
Weight, g/mol:	359.039834
ΔH_f, kcal/mol:	-153.08
Dipole, Da:	5.28
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-4-(1-thiophen-2-ylsulfonylpyrrolo[3,2-b]pyridin-6-yl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3S(=O)(=O)C4CCCC4)C5=CN(N=C5)CC(F)(F)F)N=C2

DOS

IR

Vibrations