Geometry & MOs

Info

ID:

159385

PubChem CID:

57269787

Reduced:

ClNO3C21H32 (1)

Stoich.:

ABC3D21E32 (1)

Weight, g/mol:

487.073259

ΔHf, kcal/mol:

-149.4

Dipole, Da:

3.1

IP(EA), eV:

 -8.86(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(2-pyrimidin-5-ylethenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(=O)OC(CC(C(=O)C1=CC=CC=C1)N(CC)CC)Cl

DOS

IR

Vibrations