Geometry & MOs

Info

ID:	167543
PubChem CID:	74845045
Reduced:	NS2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	337.229131
ΔH_f, kcal/mol:	-108.41
Dipole, Da:	6.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.816250
Charge, e:	1

Chem-info

IUPAC name:

(2-fluorophenyl)methyl-[2-[5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidin-2-yl]ethyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)C2CS(=O)(=O)CC2[NH2+]CC3=CC=CC=C3

DOS

IR

Vibrations