Geometry & MOs

Info

ID:	378820
PubChem CID:	134224921
Reduced:	OSF3N6C20H23 (1)
Stoich.:	ABC3D6E20F23 (1)
Weight, g/mol:	455.123895
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	4.51
IP(EA), eV:	-8.81(-0.53)
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-4-yl)pyrazol-1-yl]thian-4-yl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CSN1CCC(CC1)(CC(=O)NCC(F)(F)F)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations