Geometry & MOs

Info

ID:

443577

PubChem CID:

135259389

Reduced:

SN2O7C16H20 (1)

Stoich.:

AB2C7D16E20 (1)

Weight, g/mol:

593.219572

ΔHf, kcal/mol:

-174.91

Dipole, Da:

3.06

IP(EA), eV:

 -8.71(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[[(3aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]-2-(2-methylphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOOC1=C(C=C2C(=C1)NC(C3CC(=CN3C2=O)C)S(=O)(=O)O)OC

DOS

IR

Vibrations