Geometry & MOs

Info

ID:	318943
PubChem CID:	126653791
Reduced:	BrN2F3O3C16H18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	342.114648
ΔH_f, kcal/mol:	-269.46
Dipole, Da:	4.62
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(3-chlorophenyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NC2=C(C(=C(C=C2)F)Br)F)F

DOS

IR

Vibrations