Geometry & MOs

Info

ID:

1337

PubChem CID:

4194

Reduced:

NO17C44H69 (1)

Stoich.:

AB17C44D69 (1)

Weight, g/mol:

883.45655

ΔHf, kcal/mol:

-767.88

Dipole, Da:

4.46

IP(EA), eV:

 -8.64(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10-acetyloxy-6-[5-(4-acetyloxy-6-methyl-5-propanoyloxyoxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-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

CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C

DOS

IR

Vibrations