Geometry & MOs

Info

ID:

428099

PubChem CID:

135166053

Reduced:

SN4H24C41 (1)

Stoich.:

AB4C24D41 (1)

Weight, g/mol:

653.192569

ΔHf, kcal/mol:

233.36

Dipole, Da:

0.97

IP(EA), eV:

 -8.26(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-(4-phenylphenyl)quinazolin-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=NC(=NC(=N2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)SC7=C6C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C1

DOS

IR

Vibrations