Geometry & MOs

Info

ID:	362150
PubChem CID:	127305836
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	357.172228
ΔH_f, kcal/mol:	-22.59
Dipole, Da:	7.21
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CC=CC=C3N4C=CC=N4

DOS

IR

Vibrations