Geometry & MOs

Info

ID:	375324
PubChem CID:	131499971
Reduced:	BrNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	7.74
IP(EA), eV:	-8.91(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-bromo-1-benzothiophen-4-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(S2)N)C(=C1CC(=O)O)Br

DOS

IR

Vibrations