Geometry & MOs

Info

ID:	130637
PubChem CID:	51091842
Reduced:	FSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	311.073991
ΔH_f, kcal/mol:	-102.78
Dipole, Da:	5.29
IP(EA), eV:	-9.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C)N(C)C(=O)C2=C(C=CC(=C2)NC(=O)C)F

DOS

IR

Vibrations