Geometry & MOs

Info

ID:	174438
PubChem CID:	75764115
Reduced:	SN2O8C22H24 (1)
Stoich.:	AB2C8D22E24 (1)
Weight, g/mol:	358.109563
ΔH_f, kcal/mol:	-249.0
Dipole, Da:	13.16
IP(EA), eV:	-8.14(-2.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethoxy]acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(C(=O)[O-])NS(=O)(=O)C4=CC5=C(C=C4)N(C(=O)CO5)CC(=O)[O-]

DOS

IR

Vibrations