Geometry & MOs

Info

ID:	68622
PubChem CID:	46508781
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	1.6
IP(EA), eV:	-8.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations