Geometry & MOs

Info

ID:	137615
PubChem CID:	52235259
Reduced:	NSF2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	386.140207
ΔH_f, kcal/mol:	-272.75
Dipole, Da:	3.32
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2S)-1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CS(=O)(=O)CC2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations