Geometry & MOs

Info

ID:

220041

PubChem CID:

85165177

Reduced:

HgSSiO3C25H31 (1)

Stoich.:

ABCD3E25F31 (1)

Weight, g/mol:

640.24469

ΔHf, kcal/mol:

-115.25

Dipole, Da:

1.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.785268

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-hydroxy-4-phenylselanyl-2,3-dihydropyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)[Si](C1=C(C=C(S1)[Hg])C2=CC=CC=C2)(C(C)C)OCC3=CC=CC=C3.CC(=O)O

DOS

IR

Vibrations