Geometry & MOs

Info

ID:	314749
PubChem CID:	126622983
Reduced:	BrFO4N7H23C26 (1)
Stoich.:	ABC4D7E23F26 (1)
Weight, g/mol:	424.090449
ΔH_f, kcal/mol:	-79.59
Dipole, Da:	9.27
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-2-[[2-fluoro-3-(3-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CN=C(N=C3)OC)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F

DOS

IR

Vibrations