Geometry & MOs

Info

ID:	372204
PubChem CID:	131294348
Reduced:	SN3O3C8H11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	297.92993
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	1.93
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-7-hydroxy-1-benzothiophen-4-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)C1C(=NNC1=O)[C@H]2CSCN2

DOS

IR

Vibrations