Geometry & MOs

Info

ID:

442247

PubChem CID:

135250806

Reduced:

SN3C13H15 (3)

Stoich.:

AB3C13D15 (3)

Weight, g/mol:

687.364536

ΔHf, kcal/mol:

140.61

Dipole, Da:

2.57

IP(EA), eV:

 -8.8(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4,6-bis[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)pyridin-3-yl]-1,3,5-triazin-2-yl]pyridin-2-yl]-4,4,5,5-tetramethyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(SC(=N1)C2=NC=C(C=C2)C3=NC(=NC(=N3)C4=CN=C(C=C4)C5=NC(C(S5)(C)C)(C)C)C6=CN=C(C=C6)C7=NC(C(S7)(C)C)(C)C)(C)C)C

DOS

IR

Vibrations