Geometry & MOs

Info

ID:	338977
PubChem CID:	127259988
Reduced:	NS3O4H7C10 (1)
Stoich.:	AB3C4D7E10 (1)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	3.32
IP(EA), eV:	-9.5(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(ethylamino)-3-oxopropyl] 4-aminobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)S(=O)(=O)O

DOS

IR

Vibrations