Geometry & MOs

Info

ID:	225100
PubChem CID:	85741749
Reduced:	SN2O3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	293.98916
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	5.51
IP(EA), eV:	-9.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-4-propan-2-yloxycyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NS(=O)(=O)N2)C3=CC=CO3

DOS

IR

Vibrations