Geometry & MOs

Info

ID:

388896

PubChem CID:

134990541

Reduced:

OC9H16 (2)

Stoich.:

AB9C16 (2)

Weight, g/mol:

939.482765

ΔHf, kcal/mol:

-118.83

Dipole, Da:

2.33

IP(EA), eV:

-8.71(1.15)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(4S,5S,6S,7R,9R,10R,11E,13E,16R)-10-acetyloxy-6-[3-acetyloxy-5-(4-acetyloxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate

Drug info:

PubChemData

Smile

CCOC(/C(=C/CC1=C(CCCC1(C)C)C)/C)OCC

DOS

IR

Vibrations