Geometry & MOs

Info

ID:	1873
PubChem CID:	5243
Reduced:	NS2O8H15C18 (1)
Stoich.:	AB2C8D15E18 (1)
Weight, g/mol:	437.023909
ΔH_f, kcal/mol:	-237.43
Dipole, Da:	3.08
IP(EA), eV:	-9.59(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[pyridin-2-yl-(4-sulfooxyphenyl)methyl]phenyl] hydrogen sulfate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)O)C3=CC=C(C=C3)OS(=O)(=O)O

DOS

IR

Vibrations