Geometry & MOs

Info

ID:

313389

PubChem CID:

126614294

Reduced:

S2N3H31C43 (1)

Stoich.:

A2B3C31D43 (1)

Weight, g/mol:

568.160935

ΔHf, kcal/mol:

190.64

Dipole, Da:

3.38

IP(EA), eV:

 -8.09(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,27-diphenyl-9-oxa-31-thia-11,27-diazaoctacyclo[15.14.0.02,14.05,13.08,12.018,30.020,28.021,26]hentriaconta-1(17),2(14),3,5(13),6,8(12),15,18(30),19,21,23,25,28-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC3=C(S2)C=CC4=C3C5=C(C=C4)C=C(C=C5)C6NC(C=C(N6)C7=CC=CC=C7)C8=CC=CC9=C8SC1=CC=CC=C91

DOS

IR

Vibrations