Geometry & MOs

Info

ID:	342270
PubChem CID:	127265047
Reduced:	ClON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	45.24
Dipole, Da:	3.44
IP(EA), eV:	-10.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CCC(CC)(C1=NNN=N1)NC(=O)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations