Geometry & MOs

Info

ID:

323225

PubChem CID:

126673714

Reduced:

FSO3N5H18C21 (1)

Stoich.:

ABC3D5E18F21 (1)

Weight, g/mol:

450.146724

ΔHf, kcal/mol:

-30.28

Dipole, Da:

6.35

IP(EA), eV:

 -8.51(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-hydroxy-3-methoxy-5-methylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol

Drug info:

PubChemData

Smile

C1CC1[C@@H](C(=O)N)OC2=CC3=NN(C4=C3C(=C2)OCC4)C5=CC(=C6C(=C5)SC(=N6)N)F

DOS

IR

Vibrations