Geometry & MOs

Info

ID:

215153

PubChem CID:

85084276

Reduced:

N3O9C40H63 (1)

Stoich.:

A3B9C40D63 (1)

Weight, g/mol:

730.320056

ΔHf, kcal/mol:

-383.72

Dipole, Da:

3.18

IP(EA), eV:

 -8.96(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 28-acetyloxy-7,15-dihydroxy-4-methoxy-6,19,25-trimethyl-26-(2-methylbut-2-enoyloxy)-3,10,12,20,23-pentaoxanonacyclo[20.6.1.19,16.01,5.06,21.07,19.08,17.011,15.025,29]triacont-13-ene-4-carboxylate

Drug info:

PubChemData

Smile

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCCNCC4=CC=CC=N4)C)C)C(=C)CO2)C

DOS

IR

Vibrations