Geometry & MOs

Info

ID:	314746
PubChem CID:	126622978
Reduced:	O3N5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	297.055896
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	4.62
IP(EA), eV:	-9.39(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-[4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=NC=C3C(=C2)C(=NN3CC(=O)O)C(=O)C

DOS

IR

Vibrations