Geometry & MOs

Info

ID:	37096
PubChem CID:	8016868
Reduced:	FOSN5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	365.164737
ΔH_f, kcal/mol:	57.27
Dipole, Da:	10.38
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-piperidin-1-ium-1-ylacetamide

Drug info:

PubChemData

Smile

C1C=NN2[C@@H]1C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)C4=CC=CC=C4F

DOS

IR

Vibrations