Geometry & MOs

Info

ID:

146723

PubChem CID:

53735565

Reduced:

SN4O7H22C25 (1)

Stoich.:

AB4C7D22E25 (1)

Weight, g/mol:

593.039199

ΔHf, kcal/mol:

-132.88

Dipole, Da:

4.62

IP(EA), eV:

 -9.34(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)acetyl]amino]-8-oxo-3-[(1-prop-2-ynyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C(N=[N+]=[N-])OC(=O)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations