Geometry & MOs

Info

ID:	72654
PubChem CID:	48416403
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	414.183795
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	6.97
IP(EA), eV:	-9.18(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations