Geometry & MOs

Info

ID:

390512

PubChem CID:

134999509

Reduced:

ClOSN2C15H15 (1)

Stoich.:

ABCD2E15F15 (1)

Weight, g/mol:

523.07663

ΔHf, kcal/mol:

19.28

Dipole, Da:

4.16

IP(EA), eV:

 -8.72(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[methyl-(3-methyl-1,3-thiazol-3-ium-2-yl)amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C(=NS2)C(=O)C3=CC=CC=C3)Cl

DOS

IR

Vibrations