Geometry & MOs

Info

ID:	314933
PubChem CID:	126623985
Reduced:	ClF2O2N8H23C28 (1)
Stoich.:	AB2C2D8E23F28 (1)
Weight, g/mol:	346.00768
ΔH_f, kcal/mol:	-15.99
Dipole, Da:	7.08
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-[(3-amino-6-bromopyridin-2-yl)carbamoyl]-4-fluoropyrrolidine-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]4C5=NC(=NN5)C6=C(C(=CC=C6)Cl)F)F

DOS

IR

Vibrations