Geometry & MOs

Info

ID:	375323
PubChem CID:	131499970
Reduced:	BrNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	5.99
IP(EA), eV:	-8.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=C(S2)N)Br)CC(=O)O

DOS

IR

Vibrations