Geometry & MOs

Info

ID:

185289

PubChem CID:

77281772

Reduced:

SF2N3O3H25C27 (1)

Stoich.:

AB2C3D3E25F27 (1)

Weight, g/mol:

525.128919

ΔHf, kcal/mol:

-132.94

Dipole, Da:

4.98

IP(EA), eV:

 -9.18(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)C2C3N(C(CS3)C4=CC=CC=C4F)C(=O)N(C2=O)C[C@@H](C5=CC=CC=C5)N

DOS

IR

Vibrations