Geometry & MOs

Info

ID:	446916
PubChem CID:	135278765
Reduced:	SN2O4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	428.176979
ΔH_f, kcal/mol:	-92.99
Dipole, Da:	4.75
IP(EA), eV:	-8.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-ethylcyclohexyl)oxy-5-methylsulfonylphenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)OC2=C(C=C(C=C2)S(=O)(=O)C)C3=C4C=CN=C4N(C(=C3)C)O)C(C)C

DOS

IR

Vibrations