Geometry & MOs

Info

ID:

396172

PubChem CID:

135027569

Reduced:

FNO3C36H70 (1)

Stoich.:

ABC3D36E70 (1)

Weight, g/mol:

428.175437

ΔHf, kcal/mol:

-323.21

Dipole, Da:

4.06

IP(EA), eV:

 -9.99(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,12S,13R)-5-chloro-4,6-dihydroxy-12-methyl-12-(4-methylpent-3-enyl)-15-propan-2-ylidene-11-oxatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6,9-tetraen-8-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)[C@@H](/C=C/CCCCCCCCCCCCCC)F)O

DOS

IR

Vibrations