Geometry & MOs

Info

ID:	145458
PubChem CID:	53528479
Reduced:	FSN3O3C14H20 (1)
Stoich.:	ABC3D3E14F20 (1)
Weight, g/mol:	319.054611
ΔH_f, kcal/mol:	-164.98
Dipole, Da:	6.21
IP(EA), eV:	-8.71(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chloro-4,6-dimethylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)NC2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations