Geometry & MOs

Info

ID:

378551

PubChem CID:

134224640

Reduced:

NSH15C26 (1)

Stoich.:

ABC15D26 (1)

Weight, g/mol:

753.223869

ΔHf, kcal/mol:

112.18

Dipole, Da:

1.33

IP(EA), eV:

 -8.05(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[2-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-3-yl]-14-thia-18-azaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2NC4=CC5=C(C=C34)C6=C(S5)C7=CC=CC=C7C=C6

DOS

IR

Vibrations