Geometry & MOs

Info

ID:	375181
PubChem CID:	131472783
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	285.92993
ΔH_f, kcal/mol:	5.99
Dipole, Da:	5.95
IP(EA), eV:	-8.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-3-hydroxy-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=CC(=C(S2)C(=O)C)N

DOS

IR

Vibrations