Geometry & MOs

Info

ID:

314482

PubChem CID:

126621897

Reduced:

NH31C39 (1)

Stoich.:

AB31C39 (1)

Weight, g/mol:

400.10342

ΔHf, kcal/mol:

117.28

Dipole, Da:

1.73

IP(EA), eV:

 -7.95(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-pyridin-2-yl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=C(C3=CC4=C(C=C3C=C2)C5=CC=CC=C5N4C6=CC7=C(C=C6)C8=CC=CC=C8C7(C)C)C

DOS

IR

Vibrations