Geometry & MOs

Info

ID:	446951
PubChem CID:	135279064
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	516.01547
ΔH_f, kcal/mol:	-47.41
Dipole, Da:	5.8
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-bromo-2-fluorophenoxy)-5-cyclopropylsulfonylphenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)NC2CCC(CC2)C)C3=C4C=CN=C4N(C(=C3)C)O

DOS

IR

Vibrations