Geometry & MOs

Info

ID:	136122
PubChem CID:	51983514
Reduced:	FN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	349.169822
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	5.03
IP(EA), eV:	-8.99(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)N[C@H](C)CO

DOS

IR

Vibrations