Geometry & MOs

Info

ID:	374769
PubChem CID:	131342657
Reduced:	ON2F3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-182.36
Dipole, Da:	1.66
IP(EA), eV:	-10.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-6-methyl-1-benzothiophen-3-yl)acetate

Drug info:

PubChemData

Smile

C[C@@](CO)(C1=NC=CC(=C1)C(F)(F)F)N

DOS

IR

Vibrations