Geometry & MOs

Info

ID:

313411

PubChem CID:

126614536

Reduced:

NO3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

626.250418

ΔHf, kcal/mol:

143.22

Dipole, Da:

1.52

IP(EA), eV:

 -7.73(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-(3-phenylphenyl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=C(C=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)OC8=C3C=CC(=C8)C9=CC=CC1=C9OC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations