Geometry & MOs

Info

ID:	427221
PubChem CID:	135156243
Reduced:	ClSN3O3F4H16C21 (1)
Stoich.:	ABC3D3E4F16G21 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	-249.77
Dipole, Da:	3.88
IP(EA), eV:	-9.56(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-[6-[2-(dimethylamino)propan-2-yl]pyridin-3-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)N(CC(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F)Cl)C(F)(F)F

DOS

IR

Vibrations