Geometry & MOs

Info

ID:

379132

PubChem CID:

134353561

Reduced:

F2O6N7C38H49 (1)

Stoich.:

A2B6C7D38E49 (1)

Weight, g/mol:

737.371239

ΔHf, kcal/mol:

-45.52

Dipole, Da:

25.74

IP(EA), eV:

 -7.51(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12R,16S,18R,21S)-6-fluoro-21-[(3-fluorophenyl)methyl]-16-hydroxy-20-methyl-12-(2-methylpropyl)-3-oxa-11,14,20,23,31,32,33-heptazatetracyclo[29.2.1.04,9.014,18]tetratriaconta-1(34),4(9),5,7,32-pentaene-10,13,19,22-tetrone

Drug info:

PubChemData

Smile

CC(C)C[C@@H]1C(=O)N2C[C@H](C[C@@H]2C(=O)N([C@H](C(=O)NCCCCCCCN3C=C(COC4=C(C=CC(=C4)F)C(=O)N1)N=N3)CC5=CC=C(C=C5)F)C)O

DOS

IR

Vibrations