Geometry & MOs

Info

ID:

297526

PubChem CID:

117619993

Reduced:

NH27C37 (1)

Stoich.:

AB27C37 (1)

Weight, g/mol:

400.092186

ΔHf, kcal/mol:

113.02

Dipole, Da:

1.45

IP(EA), eV:

 -8.01(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-oxa-23-thiaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3,5,7,11,13,16(24),17,19,21,25,27-tridecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C=CC5=C6C4=C3C=CC6=CC7=C5C8=NC9=CC=CC=C9C=C8C7(C)C)C

DOS

IR

Vibrations