Geometry & MOs

Info

ID:

188611

PubChem CID:

77741850

Reduced:

SN5O6C31H37 (1)

Stoich.:

AB5C6D31E37 (1)

Weight, g/mol:

533.164085

ΔHf, kcal/mol:

-197.3

Dipole, Da:

6.57

IP(EA), eV:

 -8.92(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

6-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-3-methyl-1-(2-methylpropyl)-6-[(2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-4a,5-dihydrothieno[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(C=C1)CCC(=O)NC2=NCCCN2)N(C3=CC=CC4=CC=CC=C43)S(=O)O

DOS

IR

Vibrations