Geometry & MOs

Info

ID:

219713

PubChem CID:

85164633

Reduced:

O5N9H27C28 (1)

Stoich.:

A5B9C27D28 (1)

Weight, g/mol:

570.134182

ΔHf, kcal/mol:

-91.55

Dipole, Da:

8.65

IP(EA), eV:

 -8.95(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N(C1=O)CCCC(C(=O)O)NC(=O)C3=CC=C(C=C3)NCC4=CN=C5C(=N4)C(=NC(=N5)N)N

DOS

IR

Vibrations