Geometry & MOs

Info

ID:	446910
PubChem CID:	135278730
Reduced:	SN3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	466.136257
ΔH_f, kcal/mol:	22.41
Dipole, Da:	4.57
IP(EA), eV:	-8.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCC(CC1)NC2=C(C=C(C=C2)SCC)C3=C4C=CNC4=NC(=C3)C

DOS

IR

Vibrations