Geometry & MOs

Info

ID:	295128
PubChem CID:	117518245
Reduced:	BrS2O5H9C10 (1)
Stoich.:	AB2C5D9E10 (1)
Weight, g/mol:	352.03102
ΔH_f, kcal/mol:	-151.67
Dipole, Da:	4.04
IP(EA), eV:	-9.07(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1Br)C(=O)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations