Geometry & MOs

Info

ID:

10857

PubChem CID:

108536

Reduced:

SO4N5H15C17 (2)

Stoich.:

AB4C5D15E17 (2)

Weight, g/mol:

770.16895

ΔHf, kcal/mol:

-106.16

Dipole, Da:

9.98

IP(EA), eV:

 -8.9(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)OC)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=CC=C6

DOS

IR

Vibrations