Geometry & MOs

Info

ID:	70805
PubChem CID:	48413893
Reduced:	FO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	254.083747
ΔH_f, kcal/mol:	-19.16
Dipole, Da:	1.77
IP(EA), eV:	-9.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations