Geometry & MOs

Info

ID:	218269
PubChem CID:	85089109
Reduced:	BrNO6C19H26 (1)
Stoich.:	ABC6D19E26 (1)
Weight, g/mol:	443.967396
ΔH_f, kcal/mol:	-154.21
Dipole, Da:	4.3
IP(EA), eV:	-9.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[2-(4-aminophenyl)-1-sulfonatoethenyl]-5-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC5=CON=C5Br)C

DOS

IR

Vibrations