Geometry & MOs

Info

ID:	373417
PubChem CID:	131314901
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	294.93026
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	3.45
IP(EA), eV:	-9.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-6-cyano-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)C(=CC1=CC=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations