Geometry & MOs

Info

ID:

388808

PubChem CID:

134990297

Reduced:

S2N7O11C57H73 (1)

Stoich.:

A2B7C11D57E73 (1)

Weight, g/mol:

834.545305

ΔHf, kcal/mol:

-439.44

Dipole, Da:

5.03

IP(EA), eV:

 -8.86(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-10-(2-methoxypropan-2-yloxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)OCC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H](CC4=CC=C(C=C4)OCC)NC(=O)CCSCC5=CC=CC=C5

DOS

IR

Vibrations