Geometry & MOs

Info

ID:	138033
PubChem CID:	52301570
Reduced:	OSN2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	385.136808
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	1.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755186
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[(2R)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-1-ium-2-yl]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)NCC[NH+]2CCCCCC2

DOS

IR

Vibrations