Geometry & MOs

Info

ID:	314789
PubChem CID:	126623162
Reduced:	ClO3F4N8H23C26 (1)
Stoich.:	AB3C4D8E23F26 (1)
Weight, g/mol:	324.084553
ΔH_f, kcal/mol:	-195.75
Dipole, Da:	4.36
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamoyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NN(C=C5Cl)CC(F)(F)F)F

DOS

IR

Vibrations