Geometry & MOs

Info

ID:

379221

PubChem CID:

134356833

Reduced:

S2N5F6O9H43C44 (1)

Stoich.:

A2B5C6D9E43F44 (1)

Weight, g/mol:

452.115441

ΔHf, kcal/mol:

-550.24

Dipole, Da:

11.24

IP(EA), eV:

 -8.65(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyano-6-[3,6-dimethoxy-2-[[2-oxo-2-(pyridin-3-ylamino)ethyl]amino]phenyl]benzenesulfinic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(N=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N(CC(=O)N4CCCCCC4)C5=C(C=CC(=C5)OC)OC)C6=C(C=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations