Geometry & MOs

Info

ID:	314759
PubChem CID:	126623015
Reduced:	BrO2N3C10H12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	306.97902
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	5.34
IP(EA), eV:	-9.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)NC2=NC(=CC=C2)Br)O

DOS

IR

Vibrations