Geometry & MOs

Info

ID:	46336
PubChem CID:	10523936
Reduced:	BrNO3H12C19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	381.01983
ΔH_f, kcal/mol:	13.91
Dipole, Da:	4.6
IP(EA), eV:	-9.67(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'S,5'R)-3-(4-bromophenyl)-1'-fluorospiro[1,4,2-oxathiazole-5,4'-adamantane]

Drug info:

PubChemData

Smile

C#CCN(C1=CC2=C(C=CC(=C2)Br)OC1=O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations