Geometry & MOs

Info

ID:

329510

PubChem CID:

126737717

Reduced:

SN4H28C48 (1)

Stoich.:

AB4C28D48 (1)

Weight, g/mol:

612.16602

ΔHf, kcal/mol:

263.12

Dipole, Da:

4.9

IP(EA), eV:

 -8.14(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-thia-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2N(C4=CC=CC=C43)C5=CC=CC=C5)N6C7=CC=CC=C7C8=C6C9=C(C=C8)C1=C(C2=CC=CC=C29)SC2=CC=CC=C21

DOS

IR

Vibrations