Geometry & MOs

Info

ID:

351

PubChem CID:

2632

Reduced:

S2N5O7C16H17 (1)

Stoich.:

A2B5C7D16E17 (1)

Weight, g/mol:

455.05694

ΔHf, kcal/mol:

-171.65

Dipole, Da:

9.2

IP(EA), eV:

 -9.31(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations