Geometry & MOs

Info

ID:	51449
PubChem CID:	12014119
Reduced:	SRu2Si2F3O6C21H31 (1)
Stoich.:	AB2C2D3E6F21G31 (1)
Weight, g/mol:	511.202859
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	12.24
IP(EA), eV:	-6.5(-3.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] (2S,3S)-3-hydroxy-2-methyl-4-phenylmethoxybutanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC=C.C[Si]1(C2=C(C=C[CH-]2)[Si](C3=C1[CH-]C=C3)(C)C)C.C=O.C=O.C=O.C(F)(F)(F)S(=O)(=O)O.[Ru+].[Ru+]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC=C.C[Si]1(C2=C(C=C[CH-]2)[Si](C3=C1[CH-]C=C3)(C)C)C.C=O.C=O.C=O.C(F)(F)(F)S(=O)(=O)O.[Ru+].[Ru+]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):