Geometry & MOs

Info

ID:

59175

PubChem CID:

24775683

Reduced:

S2N3O8C55H62 (1)

Stoich.:

A2B3C8D55E62 (1)

Weight, g/mol:

228.154557

ΔHf, kcal/mol:

-251.71

Dipole, Da:

9.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.824898

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane

Drug info:

PubChemData

Smile

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O)/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5CCCCS(=O)(=O)O)C=CC7=CC=CC=C76)(C)C)/CCC4)C8=CC=C(C=C8)C(=O)NCCO)C

DOS

IR

Vibrations