Geometry & MOs

Info

ID:

1113

PubChem CID:

3804

Reduced:

NO15C42H69 (1)

Stoich.:

AB15C42D69 (1)

Weight, g/mol:

827.466721

ΔHf, kcal/mol:

-695.33

Dipole, Da:

4.96

IP(EA), eV:

 -9.14(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O

DOS

IR

Vibrations