Geometry & MOs

Info

ID:	418867
PubChem CID:	135107000
Reduced:	FN2S2O5C13H19 (1)
Stoich.:	AB2C2D5E13F19 (1)
Weight, g/mol:	418.213554
ΔH_f, kcal/mol:	-226.11
Dipole, Da:	1.73
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)C2=CC=CC(=C2)F

DOS

IR

Vibrations