Geometry & MOs

Info

ID:

313405

PubChem CID:

126614460

Reduced:

ON4H30C36 (1)

Stoich.:

AB4C30D36 (1)

Weight, g/mol:

663.270819

ΔHf, kcal/mol:

132.61

Dipole, Da:

4.87

IP(EA), eV:

 -8.17(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC4=C(C=C3)C5=C(C=C4)C=CC6=C5OC(N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations