Geometry & MOs

Info

ID:	375325
PubChem CID:	131499973
Reduced:	BrNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	3.45
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-bromo-1-benzothiophen-3-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1SC(=C2)N)CC(=O)O)Br

DOS

IR

Vibrations