Geometry & MOs

Info

ID:	436579
PubChem CID:	135205607
Reduced:	SF3O4N8H19C21 (1)
Stoich.:	AB3C4D8E19F21 (1)
Weight, g/mol:	278.120132
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	4.42
IP(EA), eV:	-9.54(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2C(=N[C@@](C[S@]2(=NC1)=O)(C3=C(C=CC(=N3)NC(=O)C4=NC=C(C=C4)C#N)F)C(F)F)NC(=O)O

DOS

IR

Vibrations