Geometry & MOs

Info

ID:	131354
PubChem CID:	51194418
Reduced:	SF3N3O3C16H16 (1)
Stoich.:	AB3C3D3E16F16 (1)
Weight, g/mol:	387.086447
ΔH_f, kcal/mol:	-225.52
Dipole, Da:	7.55
IP(EA), eV:	-9.57(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F)C3CCS(=O)(=O)C3

DOS

IR

Vibrations