Geometry & MOs

Info

ID:	446921
PubChem CID:	135278810
Reduced:	O4N6C29H40 (1)
Stoich.:	A4B6C29D40 (1)
Weight, g/mol:	346.078742
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	2.62
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyclopropylsulfonyl-2-fluorophenyl)-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC1CC(CCN1C(=O)OC(C)(C)C)C2=CC3=C(C=C2C)C=NN3C4=CC(=NC(=N4)C)N5CCO[C@H](C5)CO

DOS

IR

Vibrations