Geometry & MOs

Info

ID:	434603
PubChem CID:	135175301
Reduced:	ClSF2N3O4C33H38 (1)
Stoich.:	ABC2D3E4F33G38 (1)
Weight, g/mol:	468.067938
ΔH_f, kcal/mol:	-227.06
Dipole, Da:	4.76
IP(EA), eV:	-9.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,5-difluorophenyl)-3-ethylsulfonylpyridin-2-yl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)NC(C(=O)N3CCC(CC3)N)C(C4=CC=CC(=C4)C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations