Geometry & MOs

Info

ID:

1746

PubChem CID:

4975

Reduced:

NO15C41H63 (1)

Stoich.:

AB15C41D63 (1)

Weight, g/mol:

809.41977

ΔHf, kcal/mol:

-732.53

Dipole, Da:

1.82

IP(EA), eV:

 -8.76(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2,3-dihydroxy-2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(C(C)O)O)O)C)OC(=O)C)OC(=O)C)O)O

DOS

IR

Vibrations