Geometry & MOs

Info

ID:	142045
PubChem CID:	52971632
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	390.148752
ΔH_f, kcal/mol:	-71.06
Dipole, Da:	5.28
IP(EA), eV:	-8.56(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[1-(2-hydroxyethyl)-2-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-1-ium-4-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)/N=C/2\C3C=CC=CC3=NC(=O)N2CC4CCCO4

DOS

IR

Vibrations