Geometry & MOs

Info

ID:	131353
PubChem CID:	51194417
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	387.086447
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	6.06
IP(EA), eV:	-9.11(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C

DOS

IR

Vibrations