Geometry & MOs

Info

ID:	343684
PubChem CID:	127266860
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-12.9
Dipole, Da:	6.21
IP(EA), eV:	-9.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCC=C(C2)C3=CC=CC=N3

DOS

IR

Vibrations