Geometry & MOs

Info

ID:	309930
PubChem CID:	126568049
Reduced:	ClFN6O6H24C27 (1)
Stoich.:	ABC6D6E24F27 (1)
Weight, g/mol:	292.018161
ΔH_f, kcal/mol:	-213.39
Dipole, Da:	6.45
IP(EA), eV:	-9.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-chloro-5-fluorospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one;hydrochloride

Drug info:

PubChemData

Smile

C1C[C@]2(CN(C1)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=NN=C(C=C4)NC(=O)O)C5=C(C=CC(=C5F)Cl)NC(=O)O2

DOS

IR

Vibrations