Geometry & MOs

Info

ID:	427208
PubChem CID:	135156122
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	343.115462
ΔH_f, kcal/mol:	9.96
Dipole, Da:	7.74
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(6-tert-butyl-5-fluoropyridin-3-yl)-6-oxo-3,4-dihydro-2H-pyrido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

CC1CN2C(=CC(=C(C2=O)C#N)C3=CN=C(C=C3)C(C)(C)C)SC1

DOS

IR

Vibrations