Geometry & MOs

Info

ID:	214597
PubChem CID:	85083254
Reduced:	NSiF3O3C31H36 (1)
Stoich.:	ABC3D3E31F36 (1)
Weight, g/mol:	556.104619
ΔH_f, kcal/mol:	-260.94
Dipole, Da:	3.07
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyloxyethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-(dimethylcarbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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=CC(CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

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=CC(CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):