Geometry & MOs

Info

ID:

3721

PubChem CID:

10067

Reduced:

NO10C34H53 (1)

Stoich.:

AB10C34D53 (1)

Weight, g/mol:

635.366947

ΔHf, kcal/mol:

-534.56

Dipole, Da:

9.58

IP(EA), eV:

 -8.64(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6S,9S,10S,12R,13S,14S,16R,19S,22S,23S,25R)-22-acetyloxy-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)O[C@H]1[C@@H](C2C(CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)C4[C@@]1(C5[C@@H](CC6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)C)O)C)O)O)O

DOS

IR

Vibrations