Geometry & MOs

Info

ID:	64689
PubChem CID:	29203860
Reduced:	FN3O5C25H32 (1)
Stoich.:	AB3C5D25E32 (1)
Weight, g/mol:	488.22574
ΔH_f, kcal/mol:	-203.63
Dipole, Da:	3.47
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4-pyrrolidin-1-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations