Geometry & MOs

Info

ID:

388922

PubChem CID:

134990612

Reduced:

NSi3O13C76H133 (1)

Stoich.:

AB3C13D76E133 (1)

Weight, g/mol:

351.168188

ΔHf, kcal/mol:

-777.6

Dipole, Da:

6.32

IP(EA), eV:

 -8.55(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4aR,7S,8R,8aS)-8-hydroxy-2,2-dimethyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@H]([C@H](C[C@H](C(=O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@@H]([C@H](C[C@@H]([C@@H](/C=C(/C1)\C)CC=C)OCC3=CC=C(C=C3)OC)O[Si](C(C)C)(C(C)C)C(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O[Si](C(C)C)(C(C)C)C(C)C)/C)C)OC)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations