Geometry & MOs

Info

ID:	363193
PubChem CID:	127310261
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	4.91
IP(EA), eV:	-8.57(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC=NC(=C2)N3CCS(=O)CC3)CO

DOS

IR

Vibrations