Geometry & MOs

Info

ID:

11037

PubChem CID:

110164

Reduced:

S3N5O11H24C28 (1)

Stoich.:

A3B5C11D24E28 (1)

Weight, g/mol:

702.063445

ΔHf, kcal/mol:

-251.85

Dipole, Da:

9.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.474975

Charge, e:

 1

Chem-info

IUPAC name:

amino-[8-hydroxy-7-[[2-hydroxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-sulfonaphthalen-2-yl]imino-naphthalen-2-ylazanium

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)[N+](=NC3=CC4=C(C(=C(C=C4C=C3)S(=O)(=O)O)N=NC5=C(C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)O)O)N

DOS

IR

Vibrations