Geometry & MOs

Info

ID:

379129

PubChem CID:

134353471

Reduced:

ON5H39C59 (1)

Stoich.:

AB5C39D59 (1)

Weight, g/mol:

772.266068

ΔHf, kcal/mol:

273.42

Dipole, Da:

1.15

IP(EA), eV:

 -8.04(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7Z)-5'-(4,6-diphenylpyrimidin-2-yl)-6-methyl-7-prop-2-enylidenespiro[indolo[1,2-a]quinoline-5,8'-thiochromeno[3,2-c]carbazole]

Drug info:

PubChemData

Smile

CC1=C(C2(C3=CC=CC=C3N4C5=CC=CC=C5C6=C4C2=CC=C6)C7=C(O1)C=C8C9=CC=CC=C9N(C8=C7)C1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)/C=C\C=C

DOS

IR

Vibrations