Geometry & MOs

Info

ID:	427202
PubChem CID:	135156093
Reduced:	FSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	326.145285
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	6.44
IP(EA), eV:	-9.72(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-tert-butylphenyl)-7-ethenyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=N1)C2=C(C(=O)N3C[C@@H](CSC3=N2)CO)C#N)F

DOS

IR

Vibrations