Geometry & MOs

Info

ID:

230809

PubChem CID:

87572045

Reduced:

NSi2C19H40 (1)

Stoich.:

AB2C19D40 (1)

Weight, g/mol:

976.778994

ΔHf, kcal/mol:

-15.9

Dipole, Da:

2.55

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.777719

Charge, e:

0

Chem-info

IUPAC name:

(2S,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[(2S)-2,3-bis[(3S,7S,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC(/C(=C(/C)\[Si])/C)N(C(C)C)[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations