Geometry & MOs

Info

ID:	378745
PubChem CID:	134224841
Reduced:	SO2F3N5C19H20 (1)
Stoich.:	AB2C3D5E19F20 (1)
Weight, g/mol:	455.123895
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	6.98
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)CCC1(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations