Geometry & MOs

Info

ID:

436704

PubChem CID:

135207784

Reduced:

NO2C11H23 (1)

Stoich.:

AB2C11D23 (1)

Weight, g/mol:

1174.476693

ΔHf, kcal/mol:

-133.89

Dipole, Da:

4.58

IP(EA), eV:

-9.54(1.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[6-[5-acetamido-2-(acetyloxymethyl)-3-[3,4-bis[(4-methoxyphenyl)methoxy]-5,6-dimethyloxan-2-yl]oxy-6-(cyanomethylsulfanyl)oxan-4-yl]oxy-3-acetyloxy-5-(3,4-diacetyloxy-5,6-dimethyloxan-2-yl)oxy-4-methyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCC(=O)NCCC(C)(C)OCC

DOS

IR

Vibrations