Geometry & MOs

Info

ID:	70951
PubChem CID:	48414091
Reduced:	ClSO3N4C17H21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	3.61
IP(EA), eV:	-9.46(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations