Geometry & MOs

Info

ID:

180643

PubChem CID:

76663903

Reduced:

O5C27H40 (1)

Stoich.:

A5B27C40 (1)

Weight, g/mol:

1314.130752

ΔHf, kcal/mol:

-234.71

Dipole, Da:

4.77

IP(EA), eV:

 -9.44(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

pentasodium;8-[[3-[[3-[3-[3-[[3-[(4,8-disulfonato-6H-naphthalen-6-id-1-yl)carbamoyl]-2,4,6-trimethylphenyl]carbamoyl]phenyl]-2-oxopropyl]benzoyl]amino]-2,4,6-trimethylbenzoyl]amino]-3-methylnaphthalene-1,5-disulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(CCC2C(C=CC2=O)CCCCCCC(=O)CC(CO)CO)O

DOS

IR

Vibrations