Geometry & MOs

Info

ID:	72747
PubChem CID:	48416502
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	403.179044
ΔH_f, kcal/mol:	-140.2
Dipole, Da:	5.19
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)COC1=CC=CC=C1C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations