Geometry & MOs

Info

ID:

14849

PubChem CID:

422448

Reduced:

N3O13C44H61 (1)

Stoich.:

A3B13C44D61 (1)

Weight, g/mol:

839.420439

ΔHf, kcal/mol:

-502.71

Dipole, Da:

4.68

IP(EA), eV:

 -8.04(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[27-[2-[dimethylamino(propyl)amino]-2-oxoethoxy]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C=COC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)N(C)C

DOS

IR

Vibrations