Geometry & MOs

Info

ID:	342588
PubChem CID:	127265748
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	7.16
IP(EA), eV:	-9.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)sulfonylpropan-2-yl]-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NC(C)CS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations