Geometry & MOs

Info

ID:

379131

PubChem CID:

134353532

Reduced:

N5O6C25H41 (1)

Stoich.:

A5B6C25D41 (1)

Weight, g/mol:

737.371239

ΔHf, kcal/mol:

-242.96

Dipole, Da:

4.27

IP(EA), eV:

 -9.89(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12R,16S,18R,21S)-6-fluoro-21-[(4-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)OC(=O)NCCCCCCCCC(=O)NCC1=NOC(=N1)[C@H]2CCCN2C(=O)OCC=C

DOS

IR

Vibrations