Geometry & MOs

Info

ID:	131789
PubChem CID:	51261224
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	363.060839
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	6.29
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN(CC(=O)NCCCOC)CC(=O)NC1=CC=CC=C1SCC=C

DOS

IR

Vibrations