Geometry & MOs

Info

ID:

15935

PubChem CID:

455624

Reduced:

NS2O7H10C14 (2)

Stoich.:

AB2C7D10E14 (2)

Weight, g/mol:

735.979738

ΔHf, kcal/mol:

-455.49

Dipole, Da:

4.06

IP(EA), eV:

 -9.61(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[(4,8-disulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C5C(=C(C=C4)S(=O)(=O)O)C=CC=C5S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations