Geometry & MOs

Info

ID:

45243

PubChem CID:

10510021

Reduced:

ClNSiSnO7C44H81 (1)

Stoich.:

ABCDE7F44G81 (1)

Weight, g/mol:

920.643622

ΔHf, kcal/mol:

-397.27

Dipole, Da:

2.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753073

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-[(2R)-2-hydroxy-3-(14-methylhexadecanoyloxy)propoxy]-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 14-methylhexadecanoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)CCCC.CC1(O[C@@H](C[C@@H](O1)CCOCC2=CC=CC=C2)CC[C@H]([C@H]3C[C@H](OC(O3)(C)C)C/C(=N/O)/Cl)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations