Geometry & MOs

Info

ID:	72614
PubChem CID:	48416362
Reduced:	SO2N6C15H24 (1)
Stoich.:	AB2C6D15E24 (1)
Weight, g/mol:	416.16306
ΔH_f, kcal/mol:	-55.69
Dipole, Da:	8.44
IP(EA), eV:	-8.37(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations