Geometry & MOs

Info

ID:	427195
PubChem CID:	135156012
Reduced:	ClN3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	416.167083
ΔH_f, kcal/mol:	39.86
Dipole, Da:	2.45
IP(EA), eV:	-8.28(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2,6-bis(1-bicyclo[1.1.1]pentanyl)pyridin-3-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)CNC2CCN(CC2)C3=CC=CC(=C3Cl)NCC4=CC=CC=C4

DOS

IR

Vibrations