Geometry & MOs

Info

ID:

178782

PubChem CID:

76382033

Reduced:

SN4O6C19H32 (1)

Stoich.:

AB4C6D19E32 (1)

Weight, g/mol:

543.091612

ΔHf, kcal/mol:

-230.61

Dipole, Da:

4.34

IP(EA), eV:

 -8.08(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-3-ethylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCN(CC1)C(=O)S2(C3CC(=O)N3C(C2(C)C)C(=O)O)CO

DOS

IR

Vibrations