Geometry & MOs

Info

ID:

44832

PubChem CID:

10506089

Reduced:

ClNO4C30H44 (1)

Stoich.:

ABC4D30E44 (1)

Weight, g/mol:

518.15292

ΔHf, kcal/mol:

-182.11

Dipole, Da:

13.75

IP(EA), eV:

 -8.28(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2E,5R)-2-[[(2S,5S)-5-[3-(2,2-dimethylpropanoyloxy)propyl]-3-methylideneoxolan-2-yl]methyl]-6-iodo-5-methylhepta-2,6-dienoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)O[C@@H]1C[C@H]([NH+](C1)C)CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC.[Cl-]

DOS

IR

Vibrations