Geometry & MOs

Info

ID:

227251

PubChem CID:

87560865

Reduced:

ClSO2N3H15C18 (1)

Stoich.:

ABC2D3E15F18 (1)

Weight, g/mol:

373.065176

ΔHf, kcal/mol:

-8.98

Dipole, Da:

8.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766988

Charge, e:

 0

Chem-info

IUPAC name:

8-[(6-chloropyridin-3-yl)methyl]-5-hydroxy-6-phenyl-3,8a-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CSC2=[N+]1C(=C(C(=O)N2CC3=CN=C(C=C3)Cl)C4=CC=CC=C4)O

DOS

IR

Vibrations