Geometry & MOs

Info

ID:

144625

PubChem CID:

53388761

Reduced:

NSiO5C36H61 (1)

Stoich.:

ABC5D36E61 (1)

Weight, g/mol:

523.3693

ΔHf, kcal/mol:

-287.36

Dipole, Da:

1.06

IP(EA), eV:

 -8.77(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,7S)-N-[(2S)-2-[(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-oxocyclohexen-1-yl]-2-methoxyethyl]-7-methoxydodec-4-enamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C/C=C/CCC(=O)NC[C@H](C1=CC[C@H]([C@H]([C@H]1OCC2=CC=CC=C2)C)O[Si](C)(C)C(C)(C)C)OC)OC

DOS

IR

Vibrations