Geometry & MOs

Info

ID:

59854

PubChem CID:

24899868

Reduced:

SCl2O3N4H22C25 (1)

Stoich.:

AB2C3D4E22F25 (1)

Weight, g/mol:

1294.808384

ΔHf, kcal/mol:

-27.18

Dipole, Da:

4.57

IP(EA), eV:

 -8.95(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-[3-[6-[4-[tris(4-tert-butylphenyl)methyl]anilino]hexa-2,4-diynoxy]prop-1-ynyl]-6-[3-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]prop-1-ynyl]pyridin-4-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1=CC=C(C=C1)C2(C3=NCCCN3C(=N2)N)C4=CC=CC(=C4)C5=CC(=CC(=C5)Cl)Cl

DOS

IR

Vibrations