Geometry & MOs

Info

ID:

299195

PubChem CID:

117677405

Reduced:

FSN5O5C23H26 (1)

Stoich.:

ABC5D5E23F26 (1)

Weight, g/mol:

556.376389

ΔHf, kcal/mol:

-194.0

Dipole, Da:

6.18

IP(EA), eV:

 -8.84(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z,4E,6E,8E,10E,13S,15S)-13,15-dihydroxy-4,6,10-trimethyl-2-[(6S,7S,9Z,12R)-7-methyl-2-oxo-12-propan-2-yl-1-oxacyclododec-9-en-6-yl]hexadeca-2,4,6,8,10-pentaenoic acid

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=O)/C(=C\3/NC(=CS3)C4=CC=C(C=C4)F)/C(=N2)N[C@@H]5C[C@@H]([C@H]([C@H]5O)O)CO

DOS

IR

Vibrations