Geometry & MOs

Info

ID:

435128

PubChem CID:

135181305

Reduced:

ON2H45C74 (2)

Stoich.:

AB2C45D74 (2)

Weight, g/mol:

339.151767

ΔHf, kcal/mol:

595.05

Dipole, Da:

1.3

IP(EA), eV:

 -7.96(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(6-tert-butylpyridin-3-yl)-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)OC8=CC=CC=C87)C9=CC1=C(C=C9)C2(C3=C4N1C1=CC=CC=C1C4=C(C=C3)C1=CC3=C(C=C1)OC1=C3C=CC=C1C1=CC=C(C=C1)N(C1=CC3=C(C=C1)C1=CC=CC=C1C3(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC3=C(C=C1)C1(C4=CC=CC=C4C4=CC=CC=C41)C1=CC=CC4=C1N3C1=CC=CC=C41)C1=CC=CC=C1C1=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations