Geometry & MOs

Info

ID:

347

PubChem CID:

2627

Reduced:

S3N7O7C16H21 (1)

Stoich.:

A3B7C7D16E21 (1)

Weight, g/mol:

519.06646

ΔHf, kcal/mol:

-181.55

Dipole, Da:

9.79

IP(EA), eV:

 -9.51(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-2-carboxyethyl)sulfanylacetyl]amino]-7-methoxy-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)CSCC(C(=O)O)N)OC)SC2)C(=O)O

DOS

IR

Vibrations