Geometry & MOs

Info

ID:

44773

PubChem CID:

10505872

Reduced:

NO4C13H21 (2)

Stoich.:

AB4C13D21 (2)

Weight, g/mol:

510.283522

ΔHf, kcal/mol:

-331.69

Dipole, Da:

2.43

IP(EA), eV:

 -9.01(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6R)-2-ethylsulfanyl-3-phenylmethoxy-5-prop-2-enoxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ol

Drug info:

PubChemData

Smile

C[C@@]1(CC(=O)[C@]23[C@]4([C@H](CCC([C@@H]4[C@@H]([C@@H]([C@]2(O1)C)OC(=O)NCCO)O)(C)C)OC(O3)N(C)C)C)C=C

DOS

IR

Vibrations