Geometry & MOs

Info

ID:	160940
PubChem CID:	57390316
Reduced:	BrN2S3O4H9C12 (1)
Stoich.:	AB2C3D4E9F12 (1)
Weight, g/mol:	484.077422
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	6.47
IP(EA), eV:	-9.71(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]ethyl]-4-nitro-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)S2=NS(=O)(=O)C3=C2C=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations