Geometry & MOs

Info

ID:	427205
PubChem CID:	135156112
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	347.96804
ΔH_f, kcal/mol:	-77.56
Dipole, Da:	2.56
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)CN(C2=O)N3C(=O)CCCCC3=O

DOS

IR

Vibrations