Geometry & MOs

Info

ID:

313388

PubChem CID:

126614290

Reduced:

ON3H29C41 (1)

Stoich.:

AB3C29D41 (1)

Weight, g/mol:

653.19594

ΔHf, kcal/mol:

159.56

Dipole, Da:

1.7

IP(EA), eV:

 -8.62(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(NC(N2)C3=CC4=C(C=C3)C5=C(C=C4)C=CC6=C5OC(=N6)C7=CC=CC=C7)C8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations