Geometry & MOs

Info

ID:

405571

PubChem CID:

135074475

Reduced:

NSO3C24H29 (1)

Stoich.:

ABC3D24E29 (1)

Weight, g/mol:

602.381869

ΔHf, kcal/mol:

7.84

Dipole, Da:

6.65

IP(EA), eV:

 -9.13(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1S,2R,3R,6E)-2-hydroxy-1-(methoxymethoxy)-3,9-dimethyl-5-methylidenedeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C(C)C)CC#CC#C/C(=C/COCC=C)/C

DOS

IR

Vibrations