Geometry & MOs

Info

ID:

396225

PubChem CID:

135027750

Reduced:

OCl2N4H20C25 (1)

Stoich.:

AB2C4D20E25 (1)

Weight, g/mol:

592.361543

ΔHf, kcal/mol:

61.96

Dipole, Da:

4.13

IP(EA), eV:

 -8.78(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,3R,5R,6R,10R)-11-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]-6,10-dimethyl-1-trimethylsilylundec-8-en-1-yn-3-ol

Drug info:

PubChemData

Smile

C1[C@H](N[C@H](C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C(=O)N/N=C/C5=CC=C(C=C5)Cl

DOS

IR

Vibrations