Geometry & MOs

Info

ID:	217698
PubChem CID:	85088235
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	69.64
Dipole, Da:	9.9
IP(EA), eV:	-8.93(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)CC(=O)C3C=CC4=NC(=O)C5=CC=CC=C5C4=N3

DOS

IR

Vibrations