Geometry & MOs

Info

ID:	85472
PubChem CID:	49875572
Reduced:	N2S2O3H10C14 (2)
Stoich.:	A2B2C3D10E14 (2)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	3.02
IP(EA), eV:	-9.33(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl) 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N=NC4=CC(=C(C=C4)C5=NC6=C(S5)C=C(C=C6)C)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations