Geometry & MOs

Info

ID:

363

PubChem CID:

2656

Reduced:

S3O7N8H16C18 (1)

Stoich.:

A3B7C8D16E18 (1)

Weight, g/mol:

552.030408

ΔHf, kcal/mol:

-12.29

Dipole, Da:

7.91

IP(EA), eV:

 -9.23(-2.99)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]

DOS

IR

Vibrations