Geometry & MOs

Info

ID:

84396

PubChem CID:

49866215

Reduced:

NO23C50H89 (1)

Stoich.:

AB23C50D89 (1)

Weight, g/mol:

1195.651561

ΔHf, kcal/mol:

-1103.26

Dipole, Da:

8.58

IP(EA), eV:

 -9.08(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-6-[(2R,4R,5S,6S)-5-[[(4aR,6S,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4-methoxy-4,6-dimethyloxan-2-yl]oxy-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-15-(4-imidazo[4,5-b]pyridin-3-ylbutyl)-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,12,16-trione

Drug info:

PubChemData

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DOS

IR

Vibrations