Geometry & MOs

Info

ID:

309182

PubChem CID:

126539620

Reduced:

SO2N5H45C50 (1)

Stoich.:

AB2C5D45E50 (1)

Weight, g/mol:

470.266839

ΔHf, kcal/mol:

184.11

Dipole, Da:

10.05

IP(EA), eV:

 -7.96(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-(4-propan-2-yloxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C(=C2C(=C(C(=NC3=CC=CC=C3[N+](=O)[O-])S2)C#N)C4=CC=CC=C4)C5=CC=C(C=C5)N(CC)C6=C(C=CC=C6C)C)C7=C(C=CC=C7C)C

DOS

IR

Vibrations