Geometry & MOs

Info

ID:	176619
PubChem CID:	76074801
Reduced:	S2N3O4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	594.167888
ΔH_f, kcal/mol:	-122.9
Dipole, Da:	6.75
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-(diazonioamino)-1-[3-[4-(diazonioamino)phenyl]-3-oxoprop-1-enyl]-2-[1-ethoxy-2-[(1-ethoxy-2-sulfamoylethyl)sulfamoyl]ethyl]benzene

Drug info:

PubChemData

Smile

C1CSCCC12C(N3C(S2)C(C3=O)NC(=O)C(C4=CC=CC=C4)N)C(=O)O

DOS

IR

Vibrations