Geometry & MOs

Info

ID:	68090
PubChem CID:	46507739
Reduced:	SN3O5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	263.025229
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	5.98
IP(EA), eV:	-9.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzenesulfonyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CN=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CO4

DOS

IR

Vibrations