Geometry & MOs

Info

ID:	349112
PubChem CID:	127274838
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	47.81
Dipole, Da:	4.17
IP(EA), eV:	-9.0(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-oxo-2-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCC(CC3)C4=NC(=NN4)C5=CC=CC=C5

DOS

IR

Vibrations