Geometry & MOs

Info

ID:

48715

PubChem CID:

11528257

Reduced:

SiN5O13C70H99 (1)

Stoich.:

AB5C13D70E99 (1)

Weight, g/mol:

1246.296321

ΔHf, kcal/mol:

-560.21

Dipole, Da:

2.84

IP(EA), eV:

 -8.91(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-[(E)-(4-methoxyphenyl)methylideneamino]-5-[4-[[4-[(E)-(4-methoxyphenyl)methylideneamino]-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]butylsulfanyl]-1,2,4-triazol-3-yl]sulfanyl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)N(C)[C@@H](C)C(=O)O[C@@H](C/C=C(\C)/C(=O)O[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N(C)CC(=O)OCC=C)[C@H](C)[C@@H](CCCC#C)O[Si](C)(C)C(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations