Geometry & MOs

Info

ID:	232383
PubChem CID:	87576106
Reduced:	NP2C3O6H10 (2)
Stoich.:	AB2C3D6E10 (2)
Weight, g/mol:	197.99868
ΔH_f, kcal/mol:	-798.94
Dipole, Da:	4.27
IP(EA), eV:	-10.17(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-4-sulfonic acid

Drug info:

PubChemData

Smile

COP(=O)(N(CCN(P(=O)(O)OC)P(=O)(O)OC)P(=O)(O)OC)O

DOS

IR

Vibrations