Geometry & MOs

Info

ID:

49815

PubChem CID:

11533891

Reduced:

O2N4C33H50 (1)

Stoich.:

A2B4C33D50 (1)

Weight, g/mol:

534.356063

ΔHf, kcal/mol:

-110.85

Dipole, Da:

8.03

IP(EA), eV:

 -9.01(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[[(2R,3R,6Z,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-9-(phenylmethoxymethyl)-2,3,4,5,8,9-hexahydrooxonin-3-yl]oxy]-dimethylsilane

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)N(CC12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6(CCCCC6)C)C

DOS

IR

Vibrations