Geometry & MOs

Info

ID:	435138
PubChem CID:	135181585
Reduced:	N2H8C9 (1)
Stoich.:	A2B8C9 (1)
Weight, g/mol:	375.096538
ΔH_f, kcal/mol:	74.31
Dipole, Da:	2.87
IP(EA), eV:	-10.05(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-(3,3-difluoroazetidin-1-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

C=C(CC1=CN=CC=C1)C#N

DOS

IR

Vibrations