Geometry & MOs

Info

ID:	427197
PubChem CID:	135156083
Reduced:	ClFNSO3C7H7 (1)
Stoich.:	ABCDE3F7G7 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-145.71
Dipole, Da:	5.42
IP(EA), eV:	-10.3(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-tert-butylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)F)S(=O)(=O)Cl

DOS

IR

Vibrations