Geometry & MOs

Info

ID:

40

PubChem CID:

2001

Reduced:

N2O16C47H78 (1)

Stoich.:

A2B16C47D78 (1)

Weight, g/mol:

926.535134

ΔHf, kcal/mol:

-740.61

Dipole, Da:

9.53

IP(EA), eV:

 -8.67(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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)C)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

DOS

IR

Vibrations