Geometry & MOs

Info

ID:

297527

PubChem CID:

117619996

Reduced:

OSH16C28 (1)

Stoich.:

ABC16D28 (1)

Weight, g/mol:

625.334465

ΔHf, kcal/mol:

154.75

Dipole, Da:

1.59

IP(EA), eV:

 -8.45(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,19-ditert-butyl-23-(4-tert-butylphenyl)-9-oxa-23-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C=C4C=CC5C6C4=C3C=CC6=CC7=C5C8=CC=CC=C8S7

DOS

IR

Vibrations