Geometry & MOs

Info

ID:	70879
PubChem CID:	48413991
Reduced:	ClSO3N4C17H21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	3.94
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

DOS

IR

Vibrations