Geometry & MOs

Info

ID:	66034
PubChem CID:	46488220
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	5.37
IP(EA), eV:	-8.42(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyanophenyl)methylsulfonyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations