Geometry & MOs

Info

ID:

341897

PubChem CID:

127264590

Reduced:

N7O7C20H21 (1)

Stoich.:

A7B7C20D21 (1)

Weight, g/mol:

463.096005

ΔHf, kcal/mol:

-211.72

Dipole, Da:

2.93

IP(EA), eV:

 -8.53(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(2S,5R,6R)-6-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-butan-2-yloxyiminoacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CNC3=C(N2C=O)C(=O)N=C(N3)N

DOS

IR

Vibrations