Geometry & MOs

Info

ID:	183066
PubChem CID:	76974471
Reduced:	NOF3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	527.051196
ΔH_f, kcal/mol:	-161.01
Dipole, Da:	3.72
IP(EA), eV:	-9.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(trideuterio(113C)methoxyimino)acetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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

CNCCC([13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)OC2=CC=C(C=C2)C(F)(F)F

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

CNCCC([13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)OC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):