Geometry & MOs

Info

ID:	322704
PubChem CID:	126670855
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	344.185983
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	5.76
IP(EA), eV:	-9.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-butyl 1-O-tert-butyl (2S,4R)-4-(azidomethyl)-4-fluoropyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C[C@]12C[C@H]1NC(C2)C(=O)NC3=NC(=CC(=C3)OC)Br

DOS

IR

Vibrations