Geometry & MOs

Info

ID:	226501
PubChem CID:	87457643
Reduced:	BrSF3N3O4H11C16 (1)
Stoich.:	ABC3D3E4F11G16 (1)
Weight, g/mol:	196.088815
ΔH_f, kcal/mol:	-252.28
Dipole, Da:	10.07
IP(EA), eV:	-10.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxabicyclo[4.1.0]hepta-1,3,5-triene;styrene

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)N1CC2=CC(=NC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations