Geometry & MOs

Info

ID:	446899
PubChem CID:	135278567
Reduced:	OF2N7H25C26 (1)
Stoich.:	AB2C7D25E26 (1)
Weight, g/mol:	436.126835
ΔH_f, kcal/mol:	-0.37
Dipole, Da:	3.72
IP(EA), eV:	-8.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CNC[C@@H](N1C2=CC=C(C=C2)NC3=C(C(=NC=N3)OC4=CC(=C5C(=C4F)C=C(N5)C)F)C#N)C

DOS

IR

Vibrations