Geometry & MOs

Info

ID:	137284
PubChem CID:	52184129
Reduced:	ClN2S2O3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	306.193
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	7.68
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3R)-1-(4-amino-5-methylpyrimidin-1-ium-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCS(=O)(=O)C

DOS

IR

Vibrations