Geometry & MOs

Info

ID:

401173

PubChem CID:

135050427

Reduced:

BrNOC22H28 (1)

Stoich.:

ABCD22E28 (1)

Weight, g/mol:

734.439793

ΔHf, kcal/mol:

-28.48

Dipole, Da:

5.45

IP(EA), eV:

 -9.41(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1S,5S,6S)-6-[2-[(4R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-5-methyl-2-oxocyclohex-3-en-1-yl]-4-triethylsilyloxybutanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCCCCCCBr

DOS

IR

Vibrations