Geometry & MOs

Info

ID:

228853

PubChem CID:

87565973

Reduced:

PSF2N3O6H26C28 (1)

Stoich.:

ABC2D3E6F26G28 (1)

Weight, g/mol:

964.092768

ΔHf, kcal/mol:

-304.03

Dipole, Da:

6.58

IP(EA), eV:

 -8.03(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-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

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(C(F)F)O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations