Geometry & MOs

Info

ID:

378578

PubChem CID:

134224669

Reduced:

OSN3H33C55 (1)

Stoich.:

ABC3D33E55 (1)

Weight, g/mol:

723.143905

ΔHf, kcal/mol:

240.41

Dipole, Da:

3.93

IP(EA), eV:

 -8.05(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-dibenzofuran-3-yl-[1]benzothiolo[2,3-b]pyrazin-2-yl)-5-thia-15-azaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC3=C(N=C2N4C5=C(C6=CC=CC=C6C=C5)C7=C4C=C8C(=C7)SC9=C8C1=CC=CC=C1C=C9)OC1=C3C=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations