Geometry & MOs

Info

ID:	314785
PubChem CID:	126623092
Reduced:	FSO3N10H23C25 (1)
Stoich.:	ABC3D10E23F25 (1)
Weight, g/mol:	294.110374
ΔH_f, kcal/mol:	12.9
Dipole, Da:	7.9
IP(EA), eV:	-9.08(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)CN3C4=C(C(=N3)C(=O)N)SC(=N4)C5=CN6C(=CC(=N6)C)N=C5)F

DOS

IR

Vibrations