Geometry & MOs

Info

ID:	375321
PubChem CID:	131499959
Reduced:	BrNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	284.94591
ΔH_f, kcal/mol:	-50.74
Dipole, Da:	4.52
IP(EA), eV:	-8.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=C(S2)CC(=O)O)N

DOS

IR

Vibrations