Geometry & MOs

Info

ID:	378721
PubChem CID:	134224816
Reduced:	SF3O3N6C18H19 (1)
Stoich.:	AB3C3D6E18F19 (1)
Weight, g/mol:	424.129315
ΔH_f, kcal/mol:	-178.3
Dipole, Da:	3.4
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations