Geometry & MOs

Info

ID:	342441
PubChem CID:	127265596
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	337.089641
ΔH_f, kcal/mol:	-105.71
Dipole, Da:	3.02
IP(EA), eV:	-9.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-2-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OCC1CC(=O)N(C1C2=CC=CS2)C

DOS

IR

Vibrations