Geometry & MOs

Info

ID:	435139
PubChem CID:	135181592
Reduced:	OSF2N5H15C17 (1)
Stoich.:	ABC2D5E15F17 (1)
Weight, g/mol:	364.07941
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	9.32
IP(EA), eV:	-9.3(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-fluoro-4-pyridin-3-ylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

CC1CN2C(=O)C(=C(N=C2SC1)C3=CN=C(C=C3)N4CC(C4)(F)F)C#N

DOS

IR

Vibrations