Geometry & MOs

Info

ID:

298004

PubChem CID:

117645988

Reduced:

NC15H29 (1)

Stoich.:

AB15C29 (1)

Weight, g/mol:

1040.430306

ΔHf, kcal/mol:

-49.02

Dipole, Da:

1.52

IP(EA), eV:

-8.61(3.22)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[6-[[(3E,5E,9E,13E,15E)-12-[3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-hydroxy-4,6-dimethylbenzoate

Drug info:

PubChemData

Smile

CC(C)C1CNC2CCCCC2C1C(C)C

DOS

IR

Vibrations