Geometry & MOs

Info

ID:	166261
PubChem CID:	74658586
Reduced:	ClSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	7.41
IP(EA), eV:	-8.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations