Geometry & MOs

Info

ID:	332453
PubChem CID:	127250739
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	398.142405
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	5.53
IP(EA), eV:	-9.03(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=CC=C3

DOS

IR

Vibrations