Geometry & MOs

Info

ID:	142034
PubChem CID:	52970516
Reduced:	S2N3O5C18H19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	436.147707
ΔH_f, kcal/mol:	-38.15
Dipole, Da:	8.11
IP(EA), eV:	-9.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-1-ium-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3CCC(CC3S2)[N+](=O)[O-])CC#C

DOS

IR

Vibrations