Geometry & MOs

Info

ID:	372723
PubChem CID:	131303271
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	5.41
IP(EA), eV:	-9.36(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(7-bromo-4-methyl-1-benzothiophen-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C(C=C2S1)Br)C(C(=O)O)O

DOS

IR

Vibrations