Geometry & MOs

Info

ID:

181894

PubChem CID:

76810726

Reduced:

PSN2O10C25H35 (1)

Stoich.:

ABC2D10E25F35 (1)

Weight, g/mol:

911.233222

ΔHf, kcal/mol:

-476.89

Dipole, Da:

4.0

IP(EA), eV:

 -9.73(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;[5-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-2-sulfinatooxyphenyl]ethenyl]phenyl] sulfite

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=CC(=O)CC2=O)COP(=O)(NCC3=CC=CC=C3)OCCSC(=O)C(C)(C)CO)O)O

DOS

IR

Vibrations