Geometry & MOs

Info

ID:	378814
PubChem CID:	134224915
Reduced:	SO2F3N6C19H21 (1)
Stoich.:	AB2C3D6E19F21 (1)
Weight, g/mol:	470.134794
ΔH_f, kcal/mol:	-131.85
Dipole, Da:	3.68
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-ethylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazol-1-yl]azetidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)N1CC(C1)(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations