Geometry & MOs

Info

ID:	363192
PubChem CID:	127310260
Reduced:	OSN2C6H8 (2)
Stoich.:	ABC2D6E8 (2)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-13.68
Dipole, Da:	3.98
IP(EA), eV:	-8.8(-1.26)
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]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCS(=O)CC3

DOS

IR

Vibrations