Geometry & MOs

Info

ID:	314882
PubChem CID:	126623889
Reduced:	BrFSO2N8H22C25 (1)
Stoich.:	ABCD2E8F22G25 (1)
Weight, g/mol:	288.123383
ΔH_f, kcal/mol:	5.03
Dipole, Da:	8.98
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azidomethyl)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=S)N)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F

DOS

IR

Vibrations