Geometry & MOs

Info

ID:

397905

PubChem CID:

135030942

Reduced:

O3C11H18 (1)

Stoich.:

A3B11C18 (1)

Weight, g/mol:

575.309432

ΔHf, kcal/mol:

-140.3

Dipole, Da:

4.59

IP(EA), eV:

-9.13(0.59)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4Z,7E)-8-[(2E,5S,6E,10S,12S)-4,11-dihydroxy-12-methoxy-2,5,14-trimethyl-8-oxo-9,18-dioxa-20-azabicyclo[15.2.1]icosa-1(19),2,6,17(20)-tetraen-10-yl]-2-hydroxy-2,7-dimethylocta-4,7-dienoic acid

Drug info:

PubChemData

Smile

C/C=C(\C)/C/C=C\C[C@](C)(C(=O)O)O

DOS

IR

Vibrations