Geometry & MOs

Info

ID:

7404

PubChem CID:

72463

Reduced:

S4O8N10C17H20 (1)

Stoich.:

A4B8C10D17E20 (1)

Weight, g/mol:

620.034842

ΔHf, kcal/mol:

-123.48

Dipole, Da:

6.42

IP(EA), eV:

 -9.27(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[[1-[2-(sulfoamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4CCNS(=O)(=O)O)C(=O)O

DOS

IR

Vibrations