Geometry & MOs

Info

ID:	373935
PubChem CID:	131321457
Reduced:	ClF2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	-210.94
Dipole, Da:	4.45
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-hydroxy-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CCl)OC)OC(F)F

DOS

IR

Vibrations