Geometry & MOs

Info

ID:	427255
PubChem CID:	135156461
Reduced:	ON4F7H11C21 (1)
Stoich.:	AB4C7D11E21 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-287.89
Dipole, Da:	10.36
IP(EA), eV:	-9.93(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2C(=C1)F)N3C=CC(=C3C(F)(F)F)C(=O)NC4=CC(=NC=C4)C(F)(F)F

DOS

IR

Vibrations