Geometry & MOs

Info

ID:	314806
PubChem CID:	126623341
Reduced:	FN3O5C17H22 (1)
Stoich.:	AB3C5D17E22 (1)
Weight, g/mol:	315.03825
ΔH_f, kcal/mol:	-251.36
Dipole, Da:	6.55
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-(6-bromo-3-ethylpyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=CC=CC(=N2)C(=O)OC)F

DOS

IR

Vibrations