Geometry & MOs

Info

ID:

177086

PubChem CID:

76133494

Reduced:

N5O6C12H15 (1)

Stoich.:

A5B6C12D15 (1)

Weight, g/mol:

531.057906

ΔHf, kcal/mol:

-120.43

Dipole, Da:

4.19

IP(EA), eV:

 -10.18(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C=O)OCC1C(C(C(O1)N2C=NC3C2=NC=NC3=O)O)O

DOS

IR

Vibrations