Geometry & MOs

Info

ID:	314729
PubChem CID:	126622889
Reduced:	BrFON3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	347.99211
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	2.23
IP(EA), eV:	-9.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-[(3-bromo-4-fluorophenyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=C(N=C(C=C2)Br)NC(=O)[C@@H]3C[C@H](CN3)F

DOS

IR

Vibrations