Geometry & MOs

Info

ID:	409962
PubChem CID:	135082749
Reduced:	PdN2S2F6O8C19H30 (1)
Stoich.:	AB2C2D6E8F19G30 (1)
Weight, g/mol:	595.994292
ΔH_f, kcal/mol:	-647.55
Dipole, Da:	11.81
IP(EA), eV:	-9.73(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

zinc;(4S)-4-phenyl-2-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;diperchlorate

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)[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

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)[C@H]1COC(=N1)C(C)(C)C2=N[C@H](CO2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Pd+2]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):