Geometry & MOs

Info

ID:

16510

PubChem CID:

471664

Reduced:

NO13C35H59 (1)

Stoich.:

AB13C35D59 (1)

Weight, g/mol:

701.398641

ΔHf, kcal/mol:

-595.26

Dipole, Da:

1.61

IP(EA), eV:

 -9.0(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4R,5R,6R,7S,9R,10S,16S)-6-[(3R,4S,5R,6S)-5-[(2R,4R,5R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Drug info:

PubChemData

Smile

C[C@H]1CC=CC=C[C@H]([C@@H](C[C@H]([C@H]([C@@H]([C@@H](CC(=O)O1)O)OC)OC2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@@H]3C[C@@]([C@@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O

DOS

IR

Vibrations