Geometry & MOs

Info

ID:	371904
PubChem CID:	131278417
Reduced:	SN2C7H10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	369.87015
ΔH_f, kcal/mol:	29.39
Dipole, Da:	1.29
IP(EA), eV:	-7.59(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-6-iodo-3-methoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

CN1C=CC2=C1SCCN2

DOS

IR

Vibrations