Geometry & MOs

Info

ID:	64372
PubChem CID:	29199366
Reduced:	SO2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	15.03
Dipole, Da:	7.75
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-methyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)N(C)C3=CC=CC=C3

DOS

IR

Vibrations