Geometry & MOs

Info

ID:

380719

PubChem CID:

134971247

Reduced:

NO5C16H27 (1)

Stoich.:

AB5C16D27 (1)

Weight, g/mol:

647.403332

ΔHf, kcal/mol:

-236.29

Dipole, Da:

7.65

IP(EA), eV:

 -9.72(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-benzamido-2-[(4R,5R)-5-[6-(2-hexyl-5,5-dimethyl-1,3-dioxan-2-yl)hex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)C/C=C/C[C@H]1[C@H]([C@@](C(=O)O1)(CO)N)O

DOS

IR

Vibrations