Geometry & MOs

Info

ID:	318934
PubChem CID:	126653766
Reduced:	BrN3O4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	452.03139
ΔH_f, kcal/mol:	-155.21
Dipole, Da:	5.51
IP(EA), eV:	-9.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4R)-2-[(5-bromo-3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)NC2=NC(=CC=C2)Br

DOS

IR

Vibrations