Geometry & MOs

Info

ID:

176755

PubChem CID:

76094564

Reduced:

NSO6C27H35 (1)

Stoich.:

ABC6D27E35 (1)

Weight, g/mol:

609.022881

ΔHf, kcal/mol:

-237.88

Dipole, Da:

7.18

IP(EA), eV:

 -9.32(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C(C)(C)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations