Geometry & MOs

Info

ID:	396810
PubChem CID:	135029261
Reduced:	BrO3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	308.050715
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	5.58
IP(EA), eV:	-9.68(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-2-yl)-2-hydroxy-5-phenylfuran-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C(O2)(C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations