Geometry & MOs

Info

ID:

177164

PubChem CID:

76142672

Reduced:

Cl3N5O5C26H32 (1)

Stoich.:

A3B5C5D26E32 (1)

Weight, g/mol:

486.12092

ΔHf, kcal/mol:

-178.06

Dipole, Da:

11.55

IP(EA), eV:

 -8.8(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-(4-hydroxyphenyl)-2-[(4-oxo-3H-pyridine-3-carbonyl)amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=CC2=C1C=C(C=C2)C=NNC(=O)OC(Cl)(Cl)Cl)CCC3CCCN3C(=O)C4CCCN4CC(=O)O

DOS

IR

Vibrations