Geometry & MOs

Info

ID:	373629
PubChem CID:	131318076
Reduced:	BrNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	395.83166
ΔH_f, kcal/mol:	13.03
Dipole, Da:	2.6
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-7-iodo-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1CBr)CC#N)CO

DOS

IR

Vibrations