Geometry & MOs

Info

ID:

312081

PubChem CID:

126602519

Reduced:

FOSN5H20C22 (1)

Stoich.:

ABCD5E20F22 (1)

Weight, g/mol:

640.340004

ΔHf, kcal/mol:

33.87

Dipole, Da:

4.16

IP(EA), eV:

 -8.76(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-1-[(E)-3-methyl-4-oxopent-2-enyl]-8-(4-methylpent-3-enyl)-3,7,22-trioxahexacyclo[15.5.1.02,15.02,20.04,13.06,11]tricosa-4(13),5,9,11,15-pentaene-14,23-dione

Drug info:

PubChemData

Smile

C1CC(=CC1N2CCN(CC2)C3=C(C=C(C=C3)C#N)F)C4=CC5=C(C(=O)N4)SC=N5

DOS

IR

Vibrations