Geometry & MOs

Info

ID:	373633
PubChem CID:	131318089
Reduced:	BrNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	347.93171
ΔH_f, kcal/mol:	-66.99
Dipole, Da:	1.64
IP(EA), eV:	-9.86(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-iodo-5-methoxy-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(=CC=C1)N=C(O2)CBr

DOS

IR

Vibrations