Geometry & MOs

Info

ID:	245560
PubChem CID:	99453873
Reduced:	FSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	351.105291
ΔH_f, kcal/mol:	-115.23
Dipole, Da:	6.9
IP(EA), eV:	-9.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1,1-dioxothiolan-3-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C[C@@H]2CCS(=O)(=O)C2)C3=CC=CC=C3F

DOS

IR

Vibrations