Geometry & MOs

Info

ID:

1114

PubChem CID:

3805

Reduced:

NO16C45H73 (1)

Stoich.:

AB16C45D73 (1)

Weight, g/mol:

883.492935

ΔHf, kcal/mol:

-759.05

Dipole, Da:

4.6

IP(EA), eV:

 -8.58(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[6-[[4-acetyloxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-10-propanoyloxy-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

CCC(=O)OC1C=CC=CCC(OC(=O)CC(C(C(C(CC1C)CC=O)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)OC)OC(=O)C)C

DOS

IR

Vibrations