Geometry & MOs

Info

ID:	9378
PubChem CID:	88753
Reduced:	N2S2O6C27H34 (1)
Stoich.:	A2B2C6D27E34 (1)
Weight, g/mol:	546.185829
ΔH_f, kcal/mol:	-199.95
Dipole, Da:	7.2
IP(EA), eV:	-8.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bis[4-(diethylamino)phenyl]methyl]benzene-1,3-disulfonic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC)CC)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations