Geometry & MOs

Info

ID:

22752

PubChem CID:

598473

Reduced:

S2N3O7C33H35 (1)

Stoich.:

A2B3C7D33E35 (1)

Weight, g/mol:

649.191643

ΔHf, kcal/mol:

-163.45

Dipole, Da:

5.66

IP(EA), eV:

 -8.63(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-1-hydroxyethyl]-2-methoxyphenyl] 5-(dimethylamino)naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)OC)O

DOS

IR

Vibrations