Geometry & MOs

Info

ID:

313386

PubChem CID:

126614274

Reduced:

NOH55C61 (1)

Stoich.:

ABC55D61 (1)

Weight, g/mol:

647.239519

ΔHf, kcal/mol:

113.16

Dipole, Da:

1.0

IP(EA), eV:

 -7.79(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)N(C6=C(O5)C=C(C=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C8(C)C)C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations