Geometry & MOs

Info

ID:	427233
PubChem CID:	135156289
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	9.78
Dipole, Da:	7.4
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN2C(=CC(=C(C2=O)C#N)C3=CN=C(C=C3)C(C)(C)C)SC1

DOS

IR

Vibrations