Geometry & MOs

Info

ID:

214977

PubChem CID:

85083945

Reduced:

SO5C42H42 (1)

Stoich.:

AB5C42D42 (1)

Weight, g/mol:

658.365353

ΔHf, kcal/mol:

-85.99

Dipole, Da:

6.13

IP(EA), eV:

 -8.84(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trimethyl-[3-[3-[[6-[2-methyl-3-(1-phenylpyrazol-3-yl)prop-2-enyl]-4,5-bis(trimethylsilyloxy)oxan-3-yl]methyl]oxiran-2-yl]butan-2-yloxy]silane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2C(OC(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)COCC5=CC=CC=C5)CC(=O)C6=CC=CC=C6

DOS

IR

Vibrations