Geometry & MOs

Info

ID:	375158
PubChem CID:	131472716
Reduced:	F2N3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	4.89
IP(EA), eV:	-10.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(bromomethyl)-4-hydroxy-1-benzothiophen-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)[C@H](CC#N)N)F)C#N

DOS

IR

Vibrations