Geometry & MOs

Info

ID:

345

PubChem CID:

2624

Reduced:

S3O5N9C16H17 (1)

Stoich.:

A3B5C9D16E17 (1)

Weight, g/mol:

511.051478

ΔHf, kcal/mol:

-2.5

Dipole, Da:

8.92

IP(EA), eV:

 -9.27(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations