Geometry & MOs

Info

ID:	72880
PubChem CID:	48416644
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	5.74
IP(EA), eV:	-8.82(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)N2CCNC2=O)SC3=CC=CC=C3

DOS

IR

Vibrations