Geometry & MOs

Info

ID:

428090

PubChem CID:

135166044

Reduced:

SN3H27C46 (1)

Stoich.:

AB3C27D46 (1)

Weight, g/mol:

667.171834

ΔHf, kcal/mol:

235.55

Dipole, Da:

4.67

IP(EA), eV:

 -7.97(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-dibenzofuran-3-ylquinazolin-2-yl)-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=C(C7=C(C=C6)SC8=CC=CC=C87)C9=C5C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations