Geometry & MOs

Info

ID:	337353
PubChem CID:	127257038
Reduced:	SN2O3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	273.078327
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	3.24
IP(EA), eV:	-8.2(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(ethylamino)-3-oxopropyl] 6-aminopyridine-3-sulfonate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)C3=CC=CC=C3)OS(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations