Geometry & MOs

Info

ID:

185288

PubChem CID:

77281758

Reduced:

SO4N6C25H30 (1)

Stoich.:

AB4C6D25E30 (1)

Weight, g/mol:

509.158469

ΔHf, kcal/mol:

-30.01

Dipole, Da:

9.33

IP(EA), eV:

 -8.34(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(2R)-2-amino-2-phenylethyl]-8-(2-fluoro-3-methoxyphenyl)-3-(2-fluorophenyl)-2,3,8,8a-tetrahydro-[1,3]thiazolo[3,2-c]pyrimidine-5,7-dione

Drug info:

PubChemData

Smile

CCCC1=NN(C2C1=NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NCCNC4=CC=CC=C4)OCC)C

DOS

IR

Vibrations