Geometry & MOs

Info

ID:

15976

PubChem CID:

456862

Reduced:

NO13C33H47 (1)

Stoich.:

AB13C33D47 (1)

Weight, g/mol:

665.304741

ΔHf, kcal/mol:

-517.52

Dipole, Da:

2.48

IP(EA), eV:

 -9.01(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5R,7R,12R,22R,25R,26S)-22-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC=CC=CC=CC=C[C@@H](CC2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O

DOS

IR

Vibrations