Geometry & MOs

Info

ID:	69016
PubChem CID:	46515603
Reduced:	FN6H21C25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	255.078996
ΔH_f, kcal/mol:	132.2
Dipole, Da:	7.05
IP(EA), eV:	-9.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2CNCC3=CC(=C(C=C3)N4C=NC=N4)F)C5=CC=CC=C5

DOS

IR

Vibrations