Geometry & MOs

Info

ID:	331138
PubChem CID:	127248545
Reduced:	FSN4O4C20H27 (1)
Stoich.:	ABC4D4E20F27 (1)
Weight, g/mol:	412.158055
ΔH_f, kcal/mol:	-148.05
Dipole, Da:	3.72
IP(EA), eV:	-9.38(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)S(=O)(=O)N3CCCC3)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations