Geometry & MOs

Info

ID:

219856

PubChem CID:

85164967

Reduced:

N3O7C34H45 (1)

Stoich.:

A3B7C34D45 (1)

Weight, g/mol:

607.372032

ΔHf, kcal/mol:

-292.76

Dipole, Da:

6.73

IP(EA), eV:

 -8.66(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(dimethylamino)-2-[[16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)OC(C)(C)C)C(COC2=CC=CC=C2)O)NC(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations