Geometry & MOs

Info

ID:	427209
PubChem CID:	135156123
Reduced:	FOSN3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	358.126361
ΔH_f, kcal/mol:	-26.15
Dipole, Da:	8.7
IP(EA), eV:	-9.26(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(6-tert-butylpyridin-3-yl)-3-(fluoromethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=N1)C2=C(C(=O)N3CCCSC3=C2)C#N)F

DOS

IR

Vibrations