Geometry & MOs

Info

ID:

219973

PubChem CID:

85165101

Reduced:

SiO6C38H44 (1)

Stoich.:

AB6C38D44 (1)

Weight, g/mol:

625.00685

ΔHf, kcal/mol:

-194.76

Dipole, Da:

2.73

IP(EA), eV:

 -8.91(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-benzhydrylpiperazine-1-carbonyl)-6,6-dibromo-3,3-dimethyl-4,4-dioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptan-7-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C(C(CC(O3)(C=O)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations