Geometry & MOs

Info

ID:	427232
PubChem CID:	135156288
Reduced:	FSO3N4C20H23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-98.45
Dipole, Da:	10.43
IP(EA), eV:	-9.62(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-(6-tert-butylpyridin-3-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[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)N3C[C@@H](CSC3=N2)COCOC)C#N)F

DOS

IR

Vibrations