Geometry & MOs

Info

ID:

428103

PubChem CID:

135166057

Reduced:

SN4H28C47 (1)

Stoich.:

AB4C28D47 (1)

Weight, g/mol:

667.171834

ΔHf, kcal/mol:

256.17

Dipole, Da:

1.38

IP(EA), eV:

 -8.24(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-dibenzofuran-3-ylquinazolin-2-yl)-15-thia-10-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=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)SC9=C8C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations