Geometry & MOs

Info

ID:	331141
PubChem CID:	127248548
Reduced:	ClSN4O4C18H25 (1)
Stoich.:	ABC4D4E18F25 (1)
Weight, g/mol:	440.189355
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	5.1
IP(EA), eV:	-9.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)S(=O)(=O)N(C)C)CCOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations