Geometry & MOs

Info

ID:	314781
PubChem CID:	126623062
Reduced:	BrFO4N8H26C28 (1)
Stoich.:	ABC4D8E26F28 (1)
Weight, g/mol:	312.078932
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	9.57
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-[6-(1,3-oxazol-2-yl)pyridin-2-yl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CCC(C4C(=O)N(C5=NC(=CC=C5)Br)NC(=O)C)F

DOS

IR

Vibrations