Geometry & MOs

Info

ID:	375194
PubChem CID:	131472824
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	42.44
Dipole, Da:	2.92
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-7-hydroxy-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)CC2=NC(=CS2)CC#N

DOS

IR

Vibrations