Geometry & MOs

Info

ID:	331137
PubChem CID:	127248544
Reduced:	FSN4O4C20H27 (1)
Stoich.:	ABC4D4E20F27 (1)
Weight, g/mol:	438.173705
ΔH_f, kcal/mol:	-141.38
Dipole, Da:	6.53
IP(EA), eV:	-9.14(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylmorpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)S(=O)(=O)N3CCCC3)CCOC4=CC=CC=C4F

DOS

IR

Vibrations