Geometry & MOs

Info

ID:	406601
PubChem CID:	135078123
Reduced:	PdSiBr2S2N3O7H39C40 (1)
Stoich.:	ABC2D2E3F7G39H40 (1)
Weight, g/mol:	765.199869
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	4.16
IP(EA), eV:	-7.98(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-3-hydroxy-6-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfanyl]oxan-4-yl] acetate

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(=O)OC1C(C(OC(C1O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)SC4=NC(=CS4)C5=CC=CC=N5)N6C(=O)C7=CC=CC=C7C6=O.Br[Pd]Br

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(=O)OC1C(C(OC(C1O)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)SC4=NC(=CS4)C5=CC=CC=N5)N6C(=O)C7=CC=CC=C7C6=O.Br[Pd]Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):