Geometry & MOs

Info

ID:

436119

PubChem CID:

135193897

Reduced:

O6C19H24 (1)

Stoich.:

A6B19C24 (1)

Weight, g/mol:

627.166885

ΔHf, kcal/mol:

-230.27

Dipole, Da:

2.45

IP(EA), eV:

 -8.64(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (1R,4R,5R,7S,8R)-4-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-7-methyl-3,6,10-trioxo-11-oxa-6lambda4-thia-2-azatricyclo[6.3.0.02,5]undecane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)OCC1=CC=C(C=C1)OC)C(=O)C(=O)OCC=C(C)C

DOS

IR

Vibrations